CFam Chemical Families Database
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You are searching for "CFAMM00413855" in compound.

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CFAM Mol ID CFAMM00413855
Family CFFBM12094 Serine/threonine-protein kinase TBK1 and 3-phosphoinositide-dependent protein kinase 1 inhibitor N-[3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide family
Superfamily CFSBM5672 Cruzipain and Aurora kinase B Binder Superfamily
Class CFCBM1836 Class 4886
External ID CHEMBL573108 External Source CHEMBL
PubChem CID 657138 Functional Category Bioactive
Molecule Name BX-320
IUPAC Name N'-[3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propyl]-2,2-dimethylpropanediamide
Synonyms 702676-93-5;LI8;N-(3-(4-(3-(3-amino-2,2-dimethyl-3-oxopropanamido)propylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide;N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE;1z5m;AC1LCW3A;UNII-B504GXS5SM;SureCN3871286;BX320
InChi InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31)
InChiKey ZNSULAZTNWFKEW-UHFFFAOYSA-N
Formula C23H31BrN8O3 Molecular Weight 547.45
Cross Link CHEMBL573108
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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