CFam Chemical Families Database
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You are searching for "CFAMM00373331" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00373331
Family CFFBM6526 Methionine--tRNA ligase inhibitor 2-[3-[(5-bromo-2-ethoxy-3-methylphenyl)methylamino]propylamino]-1H-quinolin-4-one family
Superfamily CFSBM3745 Methionine--tRNA ligase and Methionine--tRNA ligase, cytoplasmic Binder Superfamily
Class CFCBM1397 Class 4447
External ID CHEMBL158501 External Source CHEMBL
PubChem CID 44373390 Functional Category Bioactive
Molecule Name 3-bromo-4-ethoxy-5-[[3-[(4-oxo-1H-quinolin-2-yl)amino]propylamino]methyl]benzonitrile
IUPAC Name 3-bromo-4-ethoxy-5-[[3-[(4-oxo-1H-quinolin-2-yl)amino]propylamino]methyl]benzonitrile
Synonyms CHEBI:364951
InChi InChI=1S/C22H23BrN4O2/c1-2-29-22-16(10-15(13-24)11-18(22)23)14-25-8-5-9-26-21-12-20(28)17-6-3-4-7-19(17)27-21/h3-4,6-7,10-12,25H,2,5,8-9,14H2,1H3,(H2,26,27,28)
InChiKey NEMATKSPKXWIKZ-UHFFFAOYSA-N
Formula C22H23BrN4O2 Molecular Weight 455.35
Cross Link CHEMBL158501
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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