CFam Chemical Families Database
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You are searching for "CFAMM00403398" in compound.

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CFAM Mol ID CFAMM00403398
Family CFFBM10633 Disintegrin and metalloproteinase domain-containing protein 17 and Disintegrin and metalloproteinase domain-containing protein 17 inhibitor N-[1-(3,3-dimethylbutanoyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide family
Superfamily CFSBM367 Disintegrin and metalloproteinase domain-containing protein 17 Binder Superfamily 2
Class CFCAD297 Class 297
External ID CHEMBL393443 External Source CHEMBL
PubChem CID 10031295 Functional Category Bioactive
Molecule Name tert-butyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-4-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxylate
IUPAC Name tert-butyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-4-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxylate
Synonyms CHEBI:512237
InChi InChI=1S/C31H36N6O4S/c1-20-17-22(24-7-5-6-8-25(24)32-20)19-40-23-11-9-21(10-12-23)27(38)34-31(18-26-33-28(42)36-35-26)13-15-37(16-14-31)29(39)41-30(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,34,38)(H2,33,35,36,42)
InChiKey JCIVWVZJOHHYOB-UHFFFAOYSA-N
Formula C31H36N6O4S Molecular Weight 588.72
Cross Link CHEMBL393443
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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