CFam Chemical Families Database
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You are searching for "CFAMM00161748" 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 CFAMM00161748
Family CFFCD514 Substance-P receptor Ligand Vestipitant Family
Superfamily CFSCD471 Substance-P receptor Ligand Vestipitant Superfamily
Class CFCCD335 Class 1148
External ID CHEMBL488615 External Source CHEMBL
PubChem CID 44560272 Functional Category Bioactive
Molecule Name AGN-PC-078ULR
IUPAC Name 4-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]-N-cycloheptylpiperazine-1-carboxamide
Synonyms CHEBI:547036;4-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]-N-cycloheptylpiperazine-1-carboxamide
InChi InChI=1S/C26H31ClF3N3O/c27-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)26(28,29)30)32-15-17-33(18-16-32)25(34)31-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,31,34)
InChiKey DOXSRKJXSVOAIG-UHFFFAOYSA-N
Formula C26H31ClF3N3O Molecular Weight 493.99
Cross Link CHEMBL488615
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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