CFam Chemical Families Database
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You are searching for "CFAMM00379768" in compound.

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CFAM Mol ID CFAMM00379768
Family CFFBM7402 Prothrombin inhibitor AGN-PC-073H0Z family
Superfamily CFSBM214 Prothrombin and cGMP-specific 3',5'-cyclic phosphodiesterase Binder Superfamily
Class CFCID1122 Class 2472
External ID CHEMBL26213 External Source CHEMBL
PubChem CID 12967907 Functional Category Bioactive
Molecule Name AGN-PC-00KAJR
IUPAC Name 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
Synonyms CHEBI:137933;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
InChi InChI=1S/C21H20ClF2N5O4/c1-33-15-6-4-5-14(9-15)10-25-18(30)12-28-17(22)11-26-19(20(28)31)27-13-21(23,24)16-7-2-3-8-29(16)32/h2-9,11H,10,12-13H2,1H3,(H,25,30)(H,26,27)
InChiKey AOGHMNBYHDJVHQ-UHFFFAOYSA-N
Formula C21H20ClF2N5O4 Molecular Weight 479.86
Cross Link CHEMBL26213
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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