CFam Chemical Families Database
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You are searching for "CFAMM00406675" in compound.

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CFAM Mol ID CFAMM00406675
Family CFFBM11079 Melanin-concentrating hormone receptor 1 ligand AGN-PC-00BSP9 family
Superfamily CFSBM853 Progesterone receptor and D(2) dopamine receptor Binder Superfamily 2
Class CFCAD667 Class 667
External ID CHEMBL208931 External Source CHEMBL
PubChem CID 11664086 Functional Category Bioactive
Molecule Name AGN-PC-00DONB
IUPAC Name 2-[4-(3-cyanophenyl)phenyl]-2-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
Synonyms SureCN14532611;CHEBI:451731;2-[4-(3-cyanophenyl)phenyl]-2-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
InChi InChI=1S/C31H27F4N5O/c1-39(2)28(41)40-12-10-29(11-13-40)18-30(29,22-8-6-20(7-9-22)21-5-3-4-19(14-21)17-36)27-37-25-15-23(31(33,34)35)24(32)16-26(25)38-27/h3-9,14-16H,10-13,18H2,1-2H3,(H,37,38)
InChiKey RDLMPEHXGRIGLG-UHFFFAOYSA-N
Formula C31H27F4N5O Molecular Weight 561.57
Cross Link CHEMBL208931
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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