CFam Chemical Families Database
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You are searching for "CFAMM00406701" in compound.

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CFAM Mol ID CFAMM00406701
Family CFFBM11087 Substance-P receptor and Potassium voltage-gated channel subfamily H member 2 ligand (3R,5S,6S)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-3-methylazepan-2-one family
Superfamily CFSBM1351 Substance-P receptor and Lethal factor Binder Superfamily
Class CFCBM513 Class 3563
External ID CHEMBL425956 External Source CHEMBL
PubChem CID 11983278 Functional Category Bioactive
Molecule Name (5S,6S,7S)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-7-methylazepan-2-one
IUPAC Name (5S,6S,7S)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-7-methylazepan-2-one
Synonyms CHEBI:449916
InChi InChI=1S/C23H22F7NO2/c1-12-21(14-3-5-18(24)6-4-14)19(7-8-20(32)31-12)33-13(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h3-6,9-13,19,21H,7-8H2,1-2H3,(H,31,32)/t12-,13+,19-,21+/m0/s1
InChiKey YFKDOMJVBVEBIG-YMPJLZLPSA-N
Formula C23H22F7NO2 Molecular Weight 477.42
Cross Link CHEMBL425956
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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