CFam Chemical Families Database
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You are searching for "CFAMM00162414" in compound.

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CFAM Mol ID CFAMM00162414
Family CFFCD521 Aurora kinase B and Aurora kinase C Inhibitor GSK1070916 Family
Superfamily CFSCD282 Aurora kinase B and Aurora kinase C Binder Superfamily
Class CFCCD211 Class 1024
External ID CHEMBL397816 External Source CHEMBL
PubChem CID 10210876 Functional Category Bioactive
Molecule Name SureCN4769833
IUPAC Name 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-2-ol
Synonyms CHEBI:499001
InChi InChI=1S/C29H33F3N6O3S/c1-42(40,41)37-14-10-26-25(18-37)27(20-4-6-21(7-5-20)29(30,31)32)35-38(26)17-22(39)16-36-12-8-19(9-13-36)24-15-34-28-23(24)3-2-11-33-28/h2-7,11,15,19,22,39H,8-10,12-14,16-18H2,1H3,(H,33,34)
InChiKey CWZXXCKXNWRADB-UHFFFAOYSA-N
Formula C29H33F3N6O3S Molecular Weight 602.67
Cross Link CHEMBL397816
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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