CFam Chemical Families Database
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You are searching for "CFAMM00399613" 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 CFAMM00399613
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 CHEMBL382909 External Source CHEMBL
PubChem CID 44411153 Functional Category Bioactive
Molecule Name AGN-PC-0761UM
IUPAC Name methyl 2-fluoro-6-[3-fluoro-4-[[[5-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridin-2-yl]amino]methyl]phenyl]benzoate
Synonyms CHEBI:447029;methyl 2-fluoro-6-[3-fluoro-4-[[[5-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyridin-2-yl]amino]methyl]phenyl]benzoate
InChi InChI=1S/C27H25F5N4O3/c1-39-26(38)24-20(3-2-4-21(24)28)17-5-6-18(22(29)13-17)14-33-23-8-7-19(15-34-23)25(37)36-11-9-35(10-12-36)16-27(30,31)32/h2-8,13,15H,9-12,14,16H2,1H3,(H,33,34)
Formula C27H25F5N4O3 Molecular Weight 548.50
Cross Link CHEMBL382909

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).

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