CFam Chemical Families Database
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You are searching for "CFAMM00017738" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00017738
Family CFFAD89 Vasopressin V1a receptor and Vasopressin V2 receptor Ligand benzazepine derivative
Superfamily CFSAD86 Vasopressin V1a receptor and Vasopressin V2 receptor Ligand Conivaptan Superfamily
Class CFCAD86 Class 86
External ID CHEMBL392048 External Source CHEMBL
PubChem CID 10228329 Functional Category Bioactive
Molecule Name 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-[(4-nitrobenzoyl)amino]benzimidazole-5-carboxamide
IUPAC Name 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-[(4-nitrobenzoyl)amino]benzimidazole-5-carboxamide
Synonyms CHEBI:497332
InChi InChI=1S/C25H28N6O5/c1-29(18-5-3-2-4-6-18)24(34)17-9-12-21-20(15-17)27-25(30(21)14-13-22(26)32)28-23(33)16-7-10-19(11-8-16)31(35)36/h7-12,15,18H,2-6,13-14H2,1H3,(H2,26,32)(H,27,28,33)
InChiKey BADPLEONPHCMDZ-UHFFFAOYSA-N
Formula C25H28N6O5 Molecular Weight 492.53
Cross Link CHEMBL392048
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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