CFam Chemical Families Database
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You are searching for "CFAMM00399558" in compound.

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CFAM Mol ID CFAMM00399558
Family CFFBM10098 Serine/threonine-protein kinase B-raf and RAF proto-oncogene serine/threonine-protein kinase inhibitor SB590885 family
Superfamily CFSCD214 Insulin-like growth factor 1 receptor Ligand AEW-541 Superfamily
Class CFCCD163 Class 976
External ID CHEMBL200622 External Source CHEMBL
PubChem CID 11316960 Functional Category Bioactive
Molecule Name SB590885
IUPAC Name N,N-dimethyl-2-[4-[(4Z)-4-(1-nitroso-2,3-dihydroinden-5-ylidene)-5-(1H-pyridin-4-ylidene)-1H-imidazol-2-yl]phenoxy]ethanamine
Synonyms 405554-55-4;SB-590885;SB 590885;SB590885, SB 590885;S2220_Selleck;cc-3;UNII-ISE5ATW631;CHEMBL477989;CHEBI:435166
InChi InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24-
InChiKey MLSAQOINCGAULQ-QLTSDVKISA-N
Formula C27H27N5O2 Molecular Weight 453.54
Cross Link CHEMBL477989
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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