CFam Chemical Families Database
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You are searching for "CFAMM00299699" 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 CFAMM00299699
Family CFFID3886 Vasopressin V2 receptor Ligand YM-35278 Family
Superfamily CFSID2647 Vasopressin V2 receptor Ligand YM-35278 Superfamily
Class CFCCD27 Class 840
External ID CHEMBL50208 External Source CHEMBL
PubChem CID 10282203 Functional Category Bioactive
Molecule Name SureCN7593167
IUPAC Name 1-[2-oxo-5-(2-phenylethyl)-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]urea
Synonyms CHEBI:178617
InChi InChI=1S/C37H40N6O2/c1-2-24-43-34-11-7-6-10-32(34)33(17-12-27-8-4-3-5-9-27)40-35(36(43)44)41-37(45)39-30-13-15-31(16-14-30)42-25-20-29(21-26-42)28-18-22-38-23-19-28/h3-11,13-16,18-19,22-23,29,35H,2,12,17,20-21,24-26H2,1H3,(H2,39,41,45)
InChiKey JTJBPLMWXOVUGJ-UHFFFAOYSA-N
Formula C37H40N6O2 Molecular Weight 600.75
Cross Link CHEMBL50208
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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