CFam Chemical Families Database
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You are searching for "CFAMM00413625" 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 CFAMM00413625
Family CFFBM12057 Serine/threonine-protein kinase Chk1 inhibitor SureCN14402832 family
Superfamily CFSBM5629 Serine/threonine-protein kinase Chk1 and Gonadotropin-releasing hormone receptor Binder Superfamily
Class CFCBM518 Class 3568
External ID CHEMBL374518 External Source CHEMBL
PubChem CID 44419987 Functional Category Bioactive
Molecule Name SureCN5548337
IUPAC Name 3-[5-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-6-(1H-pyrazol-4-yl)-1H-quinolin-2-one
Synonyms CHEBI:468719
InChi InChI=1S/C28H28N6O3/c1-37-17-27(35)34-8-6-33(7-9-34)16-18-2-4-24-20(10-18)13-26(31-24)23-12-21-11-19(22-14-29-30-15-22)3-5-25(21)32-28(23)36/h2-5,10-15,31H,6-9,16-17H2,1H3,(H,29,30)(H,32,36)
InChiKey ILLUPUCDIYNDAX-UHFFFAOYSA-N
Formula C28H28N6O3 Molecular Weight 496.56
Cross Link CHEMBL374518
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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