CFam Chemical Families Database
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You are searching for "CFAMM00313241" in compound.

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CFAM Mol ID CFAMM00313241
Family CFFBM559 Vasopressin V2 receptor and Vasopressin V1a receptor ligand [2-chloro-4-(2,3-dichloro-4-quinolin-8-ylphenyl)phenyl]-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methanone family
Superfamily CFSCD616 ABC294640 Superfamily
Class CFCCD100 Class 913
External ID CHEMBL181460 External Source CHEMBL
PubChem CID 44389688 Functional Category Bioactive
Molecule Name [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
IUPAC Name [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
Synonyms CHEBI:401286
InChi InChI=1S/C28H31Cl2N3O/c1-19-18-33(12-8-21(19)15-20-4-6-25(29)26(30)16-20)24-9-13-32(14-10-24)28(34)23-5-7-27-22(17-23)3-2-11-31-27/h2-7,11,16-17,19,21,24H,8-10,12-15,18H2,1H3/t19-,21-/m1/s1
InChiKey GIMAFLOOKFRGCY-TZIWHRDSSA-N
Formula C28H31Cl2N3O Molecular Weight 496.47
Cross Link CHEMBL181460
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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