CFam Chemical Families Database
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You are searching for "CFAMM00448327" in compound.

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CFAM Mol ID CFAMM00448327
Family CFFBM18617 LIM domain kinase 1 and LIM domain kinase 2 inhibitor (2S)-N'-(3-bromophenyl)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide family
Superfamily CFSBM820 LIM domain kinase 2 and RAC-alpha serine/threonine-protein kinase Binder Superfamily
Class CFCCD107 Class 920
External ID CHEMBL570831 External Source CHEMBL
PubChem CID 44542470 Functional Category Bioactive
Molecule Name (2S)-N'-(3-bromophenyl)-N-cyano-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-propan-2-ylpiperazine-1-carboximidamide
IUPAC Name (2S)-N'-(3-bromophenyl)-N-cyano-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-propan-2-ylpiperazine-1-carboximidamide
Synonyms CHEBI:675099
InChi InChI=1S/C22H25BrN8/c1-14(2)18-11-30(21-19-15(3)10-25-20(19)27-13-28-21)7-8-31(18)22(26-12-24)29-17-6-4-5-16(23)9-17/h4-6,9-10,13-14,18H,7-8,11H2,1-3H3,(H,26,29)(H,25,27,28)/t18-/m1/s1
InChiKey QXOXJENITDQYCG-GOSISDBHSA-N
Formula C22H25BrN8 Molecular Weight 481.39
Cross Link CHEMBL570831
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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