CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00161745" in compound.

Total 1 results found.

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 CFAMM00161745
Family CFFCD514 Substance-P receptor Ligand Vestipitant Family
Superfamily CFSCD471 Substance-P receptor Ligand Vestipitant Superfamily
Class CFCCD335 Class 1148
External ID CHEMBL488218 External Source CHEMBL
PubChem CID 44560219 Functional Category Bioactive
Molecule Name AGN-PC-078UKA
IUPAC Name 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide
Synonyms CHEBI:546975;4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide
InChi InChI=1S/C25H31Cl2N3O/c26-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)27)29-15-17-30(18-16-29)25(31)28-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,28,31)
InChiKey RGVBFBQWHQZVFW-UHFFFAOYSA-N
Formula C25H31Cl2N3O Molecular Weight 460.44
Cross Link CHEMBL488218
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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