CFam Chemical Families Database
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You are searching for "CFAMM00449958" 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 CFAMM00449958
Family CFFBM18950 Cannabinoid receptor 1 ligand SureCN3822127 family
Superfamily CFSBM4476 Cannabinoid receptor 1 and Cannabinoid receptor 2 Binder Superfamily 7
Class CFCBM1578 Class 4628
External ID CHEMBL592051 External Source CHEMBL
PubChem CID 46225234 Functional Category Bioactive
Molecule Name AGN-PC-07R5ZW
IUPAC Name 2-[3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl]acetonitrile
Synonyms CHEBI:691083;2-[3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl]acetonitrile
InChi InChI=1S/C30H26Cl2N4O2/c31-23-12-10-22(11-13-23)28-24(14-17-33)27(34-36(28)26-9-5-4-8-25(26)32)29(37)35-18-15-30(38,16-19-35)20-21-6-2-1-3-7-21/h1-13,38H,14-16,18-20H2
InChiKey BPRPWFMPSMOCSC-UHFFFAOYSA-N
Formula C30H26Cl2N4O2 Molecular Weight 545.46
Cross Link CHEMBL592051
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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