CFam Chemical Families Database
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You are searching for "CFAMM00017745" in compound.

Total 1 results found.

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 CFAMM00017745
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 CHEMBL137906 External Source CHEMBL
PubChem CID 21955413 Functional Category Bioactive
Molecule Name AGN-PC-03I9GX
IUPAC Name 2-[5-[2-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid
Synonyms SureCN5879624;CHEBI:330517;2-[5-[2-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid
InChi InChI=1S/C34H30N4O4/c1-20-15-28-29(16-21(20)2)37-33(36-28)23-13-11-22(12-14-23)18-35-31(39)19-38-30-10-6-5-8-25(30)27(17-32(40)41)24-7-3-4-9-26(24)34(38)42/h3-16,27H,17-19H2,1-2H3,(H,35,39)(H,36,37)(H,40,41)
InChiKey OXSPAAKNBNEUFK-UHFFFAOYSA-N
Formula C34H30N4O4 Molecular Weight 558.63
Cross Link CHEMBL137906
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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