CFam Chemical Families Database
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You are searching for "CFAMM00449073" in compound.

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CFAM Mol ID CFAMM00449073
Family CFFBM18772 Serine/threonine-protein kinase B-raf inhibitor (2R)-1-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidine-2-carboxylic acid family
Superfamily CFSBM560 Serine/threonine-protein kinase B-raf and Phosphatidylinositol 3-kinase regulatory subunit alpha Binder Superfamily
Class CFCCD211 Class 1024
External ID CHEMBL571748 External Source CHEMBL
PubChem CID 45486210 Functional Category Bioactive
Molecule Name (2R)-1-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidine-2-carboxylic acid
IUPAC Name (2R)-1-[3-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidine-2-carboxylic acid
Synonyms CHEBI:679478
InChi InChI=1S/C31H30N8O3/c40-30(41)26-5-2-14-37(26)31(42)38-20-6-7-21(38)16-19(15-20)25-10-13-33-29-27(22-3-1-4-24-23(22)17-34-35-24)28(36-39(25)29)18-8-11-32-12-9-18/h1,3-4,8-13,17,19-21,26H,2,5-7,14-16H2,(H,34,35)(H,40,41)/t19?,20?,21?,26-/m1/s1
InChiKey UDKIKURHDLVZDP-WCLRUOPHSA-N
Formula C31H30N8O3 Molecular Weight 562.62
Cross Link CHEMBL571748
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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