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Infobox drug/sandbox (edit · t · history · diff · links · /test · Source · e · t · hist · links · /subpages · /doc · /doc edit)
- /testcases2 -- titles, licence, EMA
- /testcases3 -- pregcat, legal, licence, PLLR, ATC; Wikidata
- /testcases4 -- chem formula, mab
- /testcases5 -- identifiers, second id's
- /testcases6 -- all up
- /testcases7images -- images
- /testcases8 -- type, titles
- /testcases9 -- order variants, container_only
- /testcases10 -- pharmacokinetic, localINN (2017) has (data page) -- is a redirect
- /testcases11 -- hormone, gene therapy (2018), has (data page)
- /testcases-FDA -- FDA 2023
- /testcases-warning -- warning box(es)
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- URl change 2021-01-27
- Infobox drug/formatDrugBank/sandbox (edit · t · history · diff · links · /test · Source · e · t · hist · links · /subpages · /doc · /doc edit)
- DrugBank/sandbox (edit · t · history · diff · links · /test · Source · e · t · hist · links · /subpages · /doc · /doc edit)
- Dec 2020: talk [1]
Aspirin R16CO5Y76E
- {{Infobox drug/formatUNII}} (edit talk history links # /subpages /doc /doc edit /sbox /sbox diff /test)
- R16CO5Y76E
- sandbox
- R16CO5Y76E
- Oct 2020, Template_talk:Infobox_drug#PDB
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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Valganciclovir![](//upload.wikimedia.org/wikipedia/commons/thumb/9/95/Valganciclovir_structure.svg/220px-Valganciclovir_structure.svg.png) | |
CAS Number | |
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PubChem CID | |
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IUPHAR/BPS | |
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DrugBank | |
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ChemSpider | |
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UNII | |
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KEGG | |
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ChEMBL | |
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NIAID ChemDB | |
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PDB ligand | |
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3D model (JSmol) | |
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O=C(OCC(OCn1c2N\C(=N/C(=O)c2nc1)N)CO)[C@@H](N)C(C)C
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InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1 Key:WPVFJKSGQUFQAP-GKAPJAKFSA-N
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Valganciclovir![](//upload.wikimedia.org/wikipedia/commons/thumb/9/95/Valganciclovir_structure.svg/220px-Valganciclovir_structure.svg.png) | |
CAS Number | |
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PubChem CID | |
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IUPHAR/BPS | |
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DrugBank | |
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ChemSpider | |
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UNII | |
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KEGG | |
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ChEMBL | |
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NIAID ChemDB | |
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PDB ligand | |
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3D model (JSmol) | |
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O=C(OCC(OCn1c2N\C(=N/C(=O)c2nc1)N)CO)[C@@H](N)C(C)C
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InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1 Key:WPVFJKSGQUFQAP-GKAPJAKFSA-N
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id's indexed <blank>,2 with index 0, 2
[edit]
Purge
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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ID's with index2_label|
ATC code | |
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| | - ix0: Some general note about index_label
- ix2: Some general note about index2_label
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CAS Number | |
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PubChem CID | |
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PubChem SID | |
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IUPHAR/BPS | |
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DrugBank | |
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ChemSpider | |
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UNII | |
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KEGG | |
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ChEBI | |
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ChEMBL | |
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NIAID ChemDB | |
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PDB ligand | |
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3D model (JSmol) | |
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ix0: O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
ix2: O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
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ix0: InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 YKey:TYZROVQLWOKYKF-ZDUSSCGKSA-N Y
ix2: InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2 Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2
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ID's with index2_label|
ATC code | |
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| | - ix0: Some general note about index_label
- ix2: Some general note about index2_label
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CAS Number | |
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PubChem CID | |
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PubChem SID | |
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IUPHAR/BPS | |
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DrugBank | |
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ChemSpider | |
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UNII | |
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KEGG | |
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ChEBI | |
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ChEMBL | |
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NIAID ChemDB | |
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PDB ligand | |
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3D model (JSmol) | |
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ix0: O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
ix2: O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
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ix0: InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 YKey:TYZROVQLWOKYKF-ZDUSSCGKSA-N Y
ix2: InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2 Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2
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Purge
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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ID's with index2_label|
ATC code | |
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| CAS Number | |
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PubChem CID | |
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PubChem SID | |
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IUPHAR/BPS | |
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DrugBank | |
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ChemSpider | |
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UNII | |
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KEGG | |
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ChEBI | |
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ChEMBL | |
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NIAID ChemDB | |
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PDB ligand | |
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3D model (JSmol) | |
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O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
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InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 YKey:TYZROVQLWOKYKF-ZDUSSCGKSA-N Y
InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2 Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2
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ID's with index2_label|
ATC code | |
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| CAS Number | |
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PubChem CID | |
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PubChem SID | |
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IUPHAR/BPS | |
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DrugBank | |
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ChemSpider | |
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UNII | |
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KEGG | |
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ChEBI | |
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ChEMBL | |
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NIAID ChemDB | |
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PDB ligand | |
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3D model (JSmol) | |
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O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
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InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 YKey:TYZROVQLWOKYKF-ZDUSSCGKSA-N Y
InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2 Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2
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Purge
|index_label=
|index1_label=(R)
|index2_label=(S)
|CASNo1_Comment = (R)
|PubChem1_Comment = (R)
|CASNo2_Comment = (S)
|PubChem2_Comment = (S)
Linalool (sandbox)
Identifiers
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Chemical compound
Chemical compound
- (+/-)-linalool (Q410932), (+)-linalool (Q27105233), (-)-linalool (Q27105200)
Linalool by drugbox
[edit]
- index1 (R): skipped/unused
- SID and CID
|data_page=
or exists, demo page = ???
|CAS_number=none
|PubChem=none
|ChemSpiderID=none
does cat, and show.
link title
1. By default, the Jmol external link is fed with the |SMILES=
input. So |Jmol=
does not need input.
2. When |Jmol=none
, the Jmol data row is suppressed (not shown).
3. When |Jmol=<some SMILES string>
, Jmol links will show that string in 3D, no matter what |SMILES=
is. (SMILES output itself is unchanged).
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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1.Jmol by smiles (default)|
3D model (JSmol) | |
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O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
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1.Jmol by smiles (default)|
3D model (JSmol) | |
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O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
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Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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2.Jmol=none|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
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2.Jmol=none|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
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Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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3.Jmol=DDT (overwrites SMILES)|
3D model (JSmol) | |
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O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
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3.Jmol=DDT (overwrites SMILES)|
3D model (JSmol) | |
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O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
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Jmol (secondary tests)
[edit]
Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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Jmol=None|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
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Jmol=None|
O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
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Side by side comparison{{Infobox drug}} | {{Infobox drug/sandbox}} |
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SMILES2 input|
3D model (JSmol) | |
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O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
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SMILES2 input|
3D model (JSmol) | |
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O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
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