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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB08488
http://purl.obolibrary.org/obo/dinto_DB08488
|
|---|---|
| Preferred Name | 4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one |
| Synonyms |
4-{[(E)-2-(5-chlorothiophen-2-yl)ethene]sulfonyl}-1-{1H-pyrrolo[3,2-c]pyridin-2-ylmethyl}piperazin-2-one
C18H17ClN4O3S2
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | 4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
|
|---|---|
| label | 4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
|
| type | |
| InChIKey | InChIKey=PLWVUIRWJVKSSD-XBXARRHUSA-N
|
| Synonym | 4-{[(E)-2-(5-chlorothiophen-2-yl)ethene]sulfonyl}-1-{1H-pyrrolo[3,2-c]pyridin-2-ylmethyl}piperazin-2-one
C18H17ClN4O3S2
|
| xref |
PDB:RRR
PubChem Compound:447360
ChemSpider:394486
PubChem Substance:99444959
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| prefixIRI | obo2:dinto_DB08488
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| related with | |
| SMILES | ClC1=CC=C(S1)\C=C\S(=O)(=O)N1CCN(CC2=CC3=C(N2)C=CN=C3)C(=O)C1
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| InChI | InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2/b8-4+
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| subClassOf |
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