CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00171021" 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 CFAMM00171021
Family CFFCD760 Serine/threonine-protein kinase Chk1 Inhibitor LY2603618 Family
Superfamily CFSCD669 Serine/threonine-protein kinase Chk1 Inhibitor LY2603618 Family
Class CFCCD224 Class 1037
External ID CHEMBL205449 External Source CHEMBL
PubChem CID 23646825 Functional Category Bioactive
Molecule Name AGN-PC-046QRW
IUPAC Name 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea
Synonyms N-pyrazinylurea Analog 29a;1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea
InChi InChI=1S/C19H22N6O2/c1-27-17-9-14(13-25-7-3-2-4-8-25)5-6-16(17)23-19(26)24-18-12-21-15(10-20)11-22-18/h5-6,9,11-12H,2-4,7-8,13H2,1H3,(H2,22,23,24,26)
InChiKey LGVKFJFYXUDITJ-UHFFFAOYSA-N
Formula C19H22N6O2 Molecular Weight 366.42
Cross Link CHEMBL205449
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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