CFam Chemical Families Database
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You are searching for "CFAMM00424940" in compound.

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CFAM Mol ID CFAMM00424940
Family CFFBM13886 Disintegrin and metalloproteinase domain-containing protein 17 and Collagenase 3 inhibitor N-[(3S,4S)-1-acetyl-4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)piperidin-3-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 CHEMBL247546 External Source CHEMBL
PubChem CID 44441027 Functional Category Bioactive
Molecule Name N-[(3S,4S)-1-acetyl-4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
IUPAC Name N-[(3S,4S)-1-acetyl-4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
Synonyms CHEBI:512247
InChi InChI=1S/C27H28N6O3S/c1-16-13-19(21-5-3-4-6-23(21)28-16)15-36-20-9-7-18(8-10-20)26(35)29-24-14-33(17(2)34)12-11-22(24)25-30-27(37)32-31-25/h3-10,13,22,24H,11-12,14-15H2,1-2H3,(H,29,35)(H2,30,31,32,37)/t22-,24+/m0/s1
InChiKey DAUHEXDIKFZUFM-LADGPHEKSA-N
Formula C27H28N6O3S Molecular Weight 516.61
Cross Link CHEMBL247546
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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