CFam Chemical Families Database
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You are searching for "CFAMM00407989" in compound.

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CFAM Mol ID CFAMM00407989
Family CFFBM11270 Substance-P receptor ligand AGN-PC-073QYE family
Superfamily CFSBM5437 Substance-P receptor and Potassium voltage-gated channel subfamily H member 2 Binder Superfamily 3
Class CFCBM513 Class 3563
External ID CHEMBL295685 External Source CHEMBL
PubChem CID 44294291 Functional Category Bioactive
Molecule Name AGN-PC-073QYE
IUPAC Name N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]-4-[4-(4-fluorophenyl)piperidin-1-yl]-1-phenylcyclohexane-1-carboxamide
Synonyms CHEBI:174852;N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]-4-[4-(4-fluorophenyl)piperidin-1-yl]-1-phenylcyclohexane-1-carboxamide
InChi InChI=1S/C35H37F7N2O/c1-32(2,26-20-27(34(37,38)39)22-28(21-26)35(40,41)42)43-31(45)33(25-6-4-3-5-7-25)16-12-30(13-17-33)44-18-14-24(15-19-44)23-8-10-29(36)11-9-23/h3-11,20-22,24,30H,12-19H2,1-2H3,(H,43,45)/t30-,33-
InChiKey XTFAKGWSYAGHSC-HFFMGJCWSA-N
Formula C35H37F7N2O Molecular Weight 634.67
Cross Link CHEMBL295685
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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