CFam Chemical Families Database
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You are searching for "CFAMM00525602" in compound.

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CFAM Mol ID CFAMM00525602
Family CFFBM45226 Squalene monooxygenase inhibitor 4-bromo-N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-N-methylthiophene-2-sulfonamide family
Superfamily CFSCD13 Cathepsin G and Neutrophil elastase Inhibitor Dermolastin Superfamily
Class CFCAD286 Class 286
External ID CHEMBL25755 External Source CHEMBL
PubChem CID 44276560 Functional Category Bioactive
Molecule Name 4-bromo-N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-N-methylthiophene-2-sulfonamide
IUPAC Name 4-bromo-N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-N-methylthiophene-2-sulfonamide
Synonyms CHEBI:136636
InChi InChI=1S/C25H33BrN2O3S2/c1-6-28(14-9-7-8-13-25(2,3)4)19-21-11-10-12-23(17-21)31-16-15-27(5)33(29,30)24-18-22(26)20-32-24/h7,9-12,17-18,20H,6,14-16,19H2,1-5H3/b9-7+
InChiKey IOKUPDFFGGHLDB-VQHVLOKHSA-N
Formula C25H33BrN2O3S2 Molecular Weight 553.58
Cross Link CHEMBL25755
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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