CFam Chemical Families Database
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You are searching for "CFAMM00328204" in compound.

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CFAM Mol ID CFAMM00328204
Family CFFBM1853 Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand (E)-3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]prop-2-enoic acid family
Superfamily CFSBM1059 Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 Binder Superfamily 3
Class CFCCD39 Class 852
External ID CHEMBL1627395 External Source CHEMBL
PubChem CID 195410 Functional Category Bioactive
Molecule Name (8S,9S,13S,14S,17S)-17-[di(propan-2-yl)carbamoyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid
IUPAC Name (8S,9S,13S,14S,17S)-17-[di(propan-2-yl)carbamoyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid
Synonyms (17|A)-17-(dipropan-2-ylcarbamoyl)estra-1,3,5(10)-triene-3-carboxylic acid;17-(N,N-Diisopropylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid;124650-99-3;17-Dcetca;AC1L4ZYS;AC1Q5TU0;CTK0H5724;KST-1A1473;Estra-1,3,5(10)-triene-3-carboxylicacid, 17-[[bis(1-methylethyl)amino]carbonyl]-, (17b)- (9CI);AR-1A0607
InChi InChI=1S/C26H37NO3/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-9-6-17-14-18(25(29)30)7-8-19(17)20(21)12-13-26(22,23)5/h7-8,14-16,20-23H,6,9-13H2,1-5H3,(H,29,30)/t20-,21-,22+,23-,26+/m1/s1
InChiKey VXKTZBKORWNMBL-OPMJLWCUSA-N
Formula C26H37NO3 Molecular Weight 411.58
Cross Link CHEMBL1627395
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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