CFam Chemical Families Database
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You are searching for "CFAMM00399615" 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 CFAMM00399615
Family CFFBM10113 B1 bradykinin receptor ligand AGN-PC-00CTAF family
Superfamily CFSBM3844 Caspase-1 and Cytochrome P450 3A4 Binder Superfamily
Class CFCAD137 Class 137
External ID CHEMBL201041 External Source CHEMBL
PubChem CID 11620238 Functional Category Bioactive
Molecule Name AGN-PC-00CTAF
IUPAC Name methyl 2-[4-[[[1-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclopropanecarbonyl]amino]methyl]phenyl]benzoate
Synonyms SureCN2341689;CHEBI:438255;methyl 2-[4-[[[1-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclopropanecarbonyl]amino]methyl]phenyl]benzoate
InChi InChI=1S/C26H22F3N3O4/c1-36-23(34)21-5-3-2-4-20(21)17-8-6-16(7-9-17)13-31-24(35)25(10-11-25)32-22(33)18-12-19(15-30-14-18)26(27,28)29/h2-9,12,14-15H,10-11,13H2,1H3,(H,31,35)(H,32,33)
InChiKey NUIDKWQAWKKXKU-UHFFFAOYSA-N
Formula C26H22F3N3O4 Molecular Weight 497.47
Cross Link CHEMBL201041
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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