CFam Chemical Families Database
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You are searching for "CFAMM00170820" in compound.

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CFAM Mol ID CFAMM00170820
Family CFFCD744 Apricoxib family
Superfamily CFSCD655 Apricoxib Superfamily
Class CFCAD198 Class 198
External ID 19016231 External Source PubChem
PubChem CID 19016231 Functional Category Patent Compound
Molecule Name AGN-PC-025EWW
IUPAC Name N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide
Synonyms N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-4-methyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzenesulfonamide
InChi InChI=1S/C39H59N2O3S/c1-7-9-10-11-12-13-14-15-16-19-29-44-38-26-23-34(30-37(38)39(4,5)6)31-41(32-35-20-17-18-28-40(35)27-8-2)45(42,43)36-24-21-33(3)22-25-36/h17-18,20-26,28,30H,7-16,19,27,29,31-32H2,1-6H3/q+1
InChiKey QGHPRDHGQZEOBN-UHFFFAOYSA-N
Formula C39H59N2O3S+ Molecular Weight 635.96
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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