CFam Chemical Families Database
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You are searching for "CFAMM00161537" 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 CFAMM00161537
Family CFFCD510 Tumor necrosis factor Inhibitor Tgaac-94 Family
Superfamily CFSCD467 Tumor necrosis factor Inhibitor Tgaac-94 Superfamily
Class CFCCD332 Class 1145
External ID CHEMBL196169 External Source CHEMBL
PubChem CID 44404396 Functional Category Bioactive
Molecule Name AGN-PC-075XJI
IUPAC Name 4-(2-fluorophenyl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
Synonyms CHEBI:430287;4-(2-fluorophenyl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
InChi InChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-18(7-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-4-3-5-19(20)24/h3-8,17H,9-16H2,1-2H3,(H,25,30)
InChiKey PGAUZNVGTNAJSV-UHFFFAOYSA-N
Formula C23H30FN5O2 Molecular Weight 427.52
Cross Link CHEMBL196169
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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