CFam Chemical Families Database
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You are searching for "CFAMM00515758" in compound.

Total 1 results found.

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 CFAMM00515758
Family CFFBM40538 Nuclear receptor ROR-gamma and Microtubule-associated protein tau ligand methyl 4-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate family
Superfamily CFSBM1642 Microtubule-associated protein tau and Beta-lactamase Binder Superfamily
Class CFCBM637 Class 3687
External ID CHEMBL1555743 External Source CHEMBL
PubChem CID 996799 Functional Category Bioactive
Molecule Name methyl 4-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate
IUPAC Name methyl 4-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate
Synonyms AK-968/41169732;methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate;MLS000324909;AC1LKRP2;Oprea1_140747;MolPort-001-640-470;STK301462;ZINC00650628;AKOS003790973;MCULE-5696242907
InChi InChI=1S/C25H19N3O3S/c1-31-24(30)17-11-13-18(14-12-17)26-25(32)28-23(29)20-15-22(16-7-3-2-4-8-16)27-21-10-6-5-9-19(20)21/h2-15H,1H3,(H2,26,28,29,32)
InChiKey VKXGPLFAXZZVQV-UHFFFAOYSA-N
Formula C25H19N3O3S Molecular Weight 441.50
Cross Link CHEMBL1555743
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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