CFam Chemical Families Database
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You are searching for "CFAMM00417515" in compound.

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CFAM Mol ID CFAMM00417515
Family CFFBM12650 Protein kinase C theta type and Protein kinase C delta type inhibitor (6E)-6-(1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene)-5-fluoro-2-[(3S)-3-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperazin-1-yl]pyridin-3-one family
Superfamily CFSAD694 14-alpha sterol demethylase Inhibitor Voriconazole Superfamily
Class CFCAD627 Class 627
External ID CHEMBL2325999 External Source CHEMBL
PubChem CID 53354075 Functional Category Bioactive
Molecule Name 5-fluoro-2-[(3S)-3-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-3-carbonitrile
IUPAC Name 5-fluoro-2-[(3S)-3-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridine-3-carbonitrile
Synonyms SureCN800476
InChi InChI=1S/C21H24FN7O/c1-12(2)21(3,30)16-11-29(8-7-24-16)20-13(10-23)9-15(22)18(26-20)17-14-5-4-6-25-19(14)28-27-17/h4-6,9,12,16,24,30H,7-8,11H2,1-3H3,(H,25,27,28)/t16-,21+/m0/s1
InChiKey VCVVTOKATIJIQL-HRAATJIYSA-N
Formula C21H24FN7O Molecular Weight 409.46
Cross Link CHEMBL2325999
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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