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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB08745
http://purl.obolibrary.org/obo/dinto_DB08745
|
|---|---|
| Preferred Name | 4-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone |
| Synonyms |
4-{[(E)-2-(4-chlorophenyl)ethene]sulfonyl}-1-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}piperazin-2-one
C23H27ClN4O3S
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | 4-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
|
|---|---|
| label | 4-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
|
| type | |
| InChIKey | InChIKey=QLHUDNKWOSQSMK-CXUHLZMHSA-N
|
| Synonym | 4-{[(E)-2-(4-chlorophenyl)ethene]sulfonyl}-1-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}piperazin-2-one
C23H27ClN4O3S
|
| xref |
PDB:XMJ
ChemSpider:393729
|
| prefixIRI | obo2:dinto_DB08745
|
| related with | |
| SMILES | ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)C(=O)C2)C=C1
|
| InChI | InChI=1S/C23H27ClN4O3S/c24-21-3-1-19(2-4-21)9-16-32(30,31)28-15-14-27(23(29)18-28)17-20-7-12-26(13-8-20)22-5-10-25-11-6-22/h1-6,9-11,16,20H,7-8,12-15,17-18H2/b16-9+
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
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