CFam Chemical Families Database
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You are searching for "CFAMM00390501" in compound.

Total 1 results found.

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 CFAMM00390501
Family CFFBM8787 Coagulation factor X and Coagulation factor IX inhibitor pyrazole analog 3a family
Superfamily CFSBM4602 Coagulation factor X and Coagulation factor IX Binder Superfamily 3
Class CFCAD96 Class 96
External ID CHEMBL186693 External Source CHEMBL
PubChem CID 23646196 Functional Category Bioactive
Molecule Name pyrazole analog 3j
IUPAC Name 2-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(5-methylbenzimidazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
Synonyms AGN-PC-046QDE;2-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(5-methylbenzimidazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
InChi InChI=1S/C26H19F4N7O/c1-14-5-8-21-20(9-14)33-13-36(21)16-6-7-19(18(27)11-16)34-25(38)22-12-23(26(28,29)30)35-37(22)17-4-2-3-15(10-17)24(31)32/h2-13H,1H3,(H3,31,32)(H,34,38)
InChiKey QIIJPFFGWFOIHG-UHFFFAOYSA-N
Formula C26H19F4N7O Molecular Weight 521.47
Cross Link CHEMBL186693
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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