CFam Chemical Families Database
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You are searching for "CFAMM00264842" 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 CFAMM00264842
Family CFFID2303 Adenosine receptor A3 Ligand 2-benzyl-2h-pyrazolo[3,4-c]quinolin-4(5h)-one Family
Superfamily CFSCD293 Poly [ADP-ribose] polymerase 1 and Serine/threonine-protein kinase Chk1 Binder Superfamily
Class CFCCD219 Class 1032
External ID CHEMBL387791 External Source CHEMBL
PubChem CID 680939 Functional Category Bioactive
Molecule Name ST034412
IUPAC Name [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone
Synonyms ZINC00045767;TimTec1_002479;N-Benzoylpyrazole deriv., 4;AC1LE648;HMS1541A15;MCULE-6114885033;NCGC00174075-01;[3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone;3-[(2,4-dimethylphenyl)carbonyl]pyrazolyl 4-fluorophenyl ketone
InChi InChI=1S/C19H15FN2O2/c1-12-3-8-16(13(2)11-12)18(23)17-9-10-22(21-17)19(24)14-4-6-15(20)7-5-14/h3-11H,1-2H3
InChiKey XNRMQSNQFCESPA-UHFFFAOYSA-N
Formula C19H15FN2O2 Molecular Weight 322.33
Cross Link CHEMBL387791
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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