CFam Chemical Families Database
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You are searching for "CFAMM00254095" in compound.

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CFAM Mol ID CFAMM00254095
Family CFFID1908 Estradiol 17-beta-dehydrogenase 1 Inhibitor N-ethyl Estrone-16-methyl Carboxamide Family
Superfamily CFSID1166 Estradiol 17-beta-dehydrogenase 1 Binder Superfamily 2
Class CFCAD638 Class 638
External ID DNC006164 External Source TTD
PubChem CID 44407487 Functional Category Investigative Drug
Molecule Name N-isopropyl estrone-16-methyl carboxamide
IUPAC Name 2-[(13S)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]-N-propan-2-ylacetamide
Synonyms DNC006164;N-isopropyl estrone-16-methyl carboxamide
InChi InChI=1S/C23H31NO3/c1-13(2)24-21(26)12-15-11-20-19-6-4-14-10-16(25)5-7-17(14)18(19)8-9-23(20,3)22(15)27/h5,7,10,13,15,18-20,25H,4,6,8-9,11-12H2,1-3H3,(H,24,26)/t15?,18?,19?,20?,23-/m0/s1
InChiKey OHQDRZHZEKGJSZ-OOGUNDJRSA-N
Formula C23H31NO3 Molecular Weight 369.50
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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