CFam Chemical Families Database
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You are searching for "CFAMM00148924" in compound.

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CFAM Mol ID CFAMM00148924
Family CFFCD298 Tumor necrosis factor Inhibitor Cytofab Family
Superfamily CFSCD274 Tumor necrosis factor Inhibitor Cytofab Superfamily
Class CFCCD204 Class 1017
External ID CHEMBL149156 External Source CHEMBL
PubChem CID 13245405 Functional Category Bioactive
Molecule Name 4-methylbenzenesulfonic acid;(5-methyl-2-propan-2-ylphenyl) 4-(diaminomethylideneamino)benzoate
IUPAC Name 4-methylbenzenesulfonic acid;(5-methyl-2-propan-2-ylphenyl) 4-(diaminomethylideneamino)benzoate
Synonyms AGN-PC-00LO70;LS-35903;4-methylbenzenesulfonic acid;(5-methyl-2-propan-2-ylphenyl) 4-(diaminomethylideneamino)benzoate;89022-14-0;Benzoic acid, 4-((aminoiminomethyl)amino)-, 5-methyl-2-(1-methylethyl)phenyl ester, mono(4-methylbenzenesulfonate)
InChi InChI=1S/C18H21N3O2.C7H8O3S/c1-11(2)15-9-4-12(3)10-16(15)23-17(22)13-5-7-14(8-6-13)21-18(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h4-11H,1-3H3,(H4,19,20,21);2-5H,1H3,(H,8,9,10)
InChiKey ZTHIWFDKAXMGCA-UHFFFAOYSA-N
Formula C18H21N3O2.C7H8O3S Molecular Weight 483.58
Cross Link CHEMBL149156
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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