CFam Chemical Families Database
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You are searching for "CFAMM00418757" 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 CFAMM00418757
Family CFFBM12883 Dipeptidyl peptidase 4 and Cytochrome P450 2D6 inhibitor (3R)-3-amino-1-[(2S)-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one family
Superfamily CFSCD638 Histone deacetylase 6 Inhibitor ACY-1215 Superfamily
Class CFCAD144 Class 144
External ID CHEMBL497221 External Source CHEMBL
PubChem CID 44143502 Functional Category Bioactive
Molecule Name AGN-PC-071JBZ
IUPAC Name N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]-3-[5-(trifluoromethyl)pyridin-2-yl]propanamide
Synonyms SureCN3882685;2-aminobenzimidazole-based compound, 19;N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]-3-[5-(trifluoromethyl)pyridin-2-yl]propanamide
InChi InChI=1S/C20H22F3N5O/c1-12(2)28(3)19-26-16-8-6-15(10-17(16)27-19)25-18(29)9-7-14-5-4-13(11-24-14)20(21,22)23/h4-6,8,10-12H,7,9H2,1-3H3,(H,25,29)(H,26,27)
InChiKey WJVVLFLZZWTTAS-UHFFFAOYSA-N
Formula C20H22F3N5O Molecular Weight 405.42
Cross Link CHEMBL497221
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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