CFam Chemical Families Database
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You are searching for "CFAMM00403278" in compound.

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CFAM Mol ID CFAMM00403278
Family CFFBM10619 B1 bradykinin receptor ligand methyl 2-fluoro-6-[3-fluoro-4-[[[5-(piperazine-1-carbonyl)pyridin-2-yl]amino]methyl]phenyl]benzoate family
Superfamily CFSBM4796 B1 bradykinin receptor and Protease Binder Superfamily
Class CFCCD440 Class 1253
External ID CHEMBL207913 External Source CHEMBL
PubChem CID 44411058 Functional Category Bioactive
Molecule Name methyl 2-fluoro-6-[3-fluoro-4-[[[5-[4-(3-methylbutyl)piperazine-1-carbonyl]pyridin-2-yl]amino]methyl]phenyl]benzoate
IUPAC Name methyl 2-fluoro-6-[3-fluoro-4-[[[5-[4-(3-methylbutyl)piperazine-1-carbonyl]pyridin-2-yl]amino]methyl]phenyl]benzoate
Synonyms AGN-PC-0761S5;CHEBI:446907;methyl 2-fluoro-6-[3-fluoro-4-[[[5-[4-(3-methylbutyl)piperazine-1-carbonyl]pyridin-2-yl]amino]methyl]phenyl]benzoate
InChi InChI=1S/C30H34F2N4O3/c1-20(2)11-12-35-13-15-36(16-14-35)29(37)23-9-10-27(34-19-23)33-18-22-8-7-21(17-26(22)32)24-5-4-6-25(31)28(24)30(38)39-3/h4-10,17,19-20H,11-16,18H2,1-3H3,(H,33,34)
InChiKey LZRSRWJAERMFGT-UHFFFAOYSA-N
Formula C30H34F2N4O3 Molecular Weight 536.61
Cross Link CHEMBL207913
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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