CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00238257" in compound.

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CFAM Mol ID CFAMM00238257
Family CFFID1417 Collagenase 3 and Interstitial collagenase Inhibitor 3-(4-methoxy-benzenesulfonyl)-hexane-1-thiol Family
Superfamily CFSID1126 Collagenase 3 and Interstitial collagenase Inhibitor 3-(4-methoxy-benzenesulfonyl)-hexane-1-thiol Superfamily
Class CFCID758 Class 2108
External ID 54352746 External Source PubChem
PubChem CID 54352746 Functional Category Patent Compound
Molecule Name AGN-PC-0A5UME
IUPAC Name 1-methoxy-4-[2-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)phenyl]ethenyl]benzene
Synonyms Benzene, 1-[2-(4-methoxyphenyl)ethenyl]-4-[(tridecafluorohexyl)sulfonyl]-
InChi InChI=1S/C21H13F13O3S/c1-37-14-8-4-12(5-9-14)2-3-13-6-10-15(11-7-13)38(35,36)21(33,34)19(28,29)17(24,25)16(22,23)18(26,27)20(30,31)32/h2-11H,1H3
InChiKey UGXMGXGKBFGLFO-UHFFFAOYSA-N
Formula C21H13F13O3S Molecular Weight 592.37
Cross Link
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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