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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB08504
http://purl.obolibrary.org/obo/dinto_DB08504
|
|---|---|
| Preferred Name | 6-(4-{(1s,2s)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3s)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1h-[1,2,4]triazolo[1,5-a]pyridin-4-ium |
| Synonyms |
(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-(4-{[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)butanamide
C22H25FN6O2
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| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | 6-(4-{(1s,2s)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3s)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1h-[1,2,4]triazolo[1,5-a]pyridin-4-ium
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|---|---|
| label | 6-(4-{(1s,2s)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3s)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1h-[1,2,4]triazolo[1,5-a]pyridin-4-ium
|
| type | |
| InChIKey | InChIKey=ZNHVIJAGMFQGMS-IHPCNDPISA-N
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| Synonym | (2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-(4-{[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)butanamide
C22H25FN6O2
|
| xref |
PubChem Compound:10320144
PDB:S14
PubChem Substance:99444975
ChemSpider:8495608
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| prefixIRI | obo2:dinto_DB08504
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| related with | |
| SMILES | [H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)C1=CC=C(C=C1)C1=CN2N=CN=C2C=C1
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| InChI | InChI=1S/C22H25FN6O2/c1-27(2)21(30)19(20(24)22(31)28-10-9-17(23)12-28)15-5-3-14(4-6-15)16-7-8-18-25-13-26-29(18)11-16/h3-8,11,13,17,19-20H,9-10,12,24H2,1-2H3/t17-,19-,20-/m0/s1
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| subClassOf |
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