CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00299695" 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 CFAMM00299695
Family CFFID3886 Vasopressin V2 receptor Ligand YM-35278 Family
Superfamily CFSID2647 Vasopressin V2 receptor Ligand YM-35278 Superfamily
Class CFCCD27 Class 840
External ID CHEMBL1080735 External Source CHEMBL
PubChem CID 46880630 Functional Category Bioactive
Molecule Name [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone
IUPAC Name [(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone
Synonyms CHEBI:713364
InChi InChI=1S/C28H24F3N3O2/c1-18-17-33(14-15-34(18)27(36)22-11-8-20-12-13-32-25(20)16-22)26(35)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28(29,30)31/h2-13,16,18,32H,14-15,17H2,1H3/t18-/m0/s1
InChiKey CZUGKEKGXKWONC-SFHVURJKSA-N
Formula C28H24F3N3O2 Molecular Weight 491.50
Cross Link CHEMBL1080735
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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