CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00161593" 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 CFAMM00161593
Family CFFCD510 Tumor necrosis factor Inhibitor Tgaac-94 Family
Superfamily CFSCD467 Tumor necrosis factor Inhibitor Tgaac-94 Superfamily
Class CFCCD332 Class 1145
External ID CHEMBL248985 External Source CHEMBL
PubChem CID 11522477 Functional Category Bioactive
Molecule Name AGN-PC-00ATID
IUPAC Name N-benzyl-2-methoxy-5-(4-methylpiperazin-1-yl)aniline
Synonyms SureCN3148347;N-benzyl-2-methoxy-5-(4-methylpiperazin-1-yl)aniline;CHEBI:516048
InChi InChI=1S/C19H25N3O/c1-21-10-12-22(13-11-21)17-8-9-19(23-2)18(14-17)20-15-16-6-4-3-5-7-16/h3-9,14,20H,10-13,15H2,1-2H3
InChiKey XMRHNDHBZFNIMG-UHFFFAOYSA-N
Formula C19H25N3O Molecular Weight 311.42
Cross Link CHEMBL248985
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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