CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00349571" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00349571
Family CFFBM3654 3-oxo-5-alpha-steroid 4-dehydrogenase 2 and 3-oxo-5-alpha-steroid 4-dehydrogenase 1 inhibitor (1S,9aR,11aS)-N-benzhydryl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide family
Superfamily CFSBM2103 3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-steroid 4-dehydrogenase 2 Binder Superfamily 6
Class CFCBM813 Class 3863
External ID CHEMBL306781 External Source CHEMBL
PubChem CID 44316078 Functional Category Bioactive
Molecule Name (1S,9aR,11aS)-1-(2,6-difluorobenzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one
IUPAC Name (1S,9aR,11aS)-1-(2,6-difluorobenzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one
Synonyms CHEBI:224252
InChi InChI=1S/C25H29F2NO2/c1-24-11-9-17-15(13-28-21-12-14(29)8-10-25(17,21)2)16(24)6-7-18(24)23(30)22-19(26)4-3-5-20(22)27/h3-5,12,15-18,28H,6-11,13H2,1-2H3/t15?,16?,17?,18-,24+,25-/m1/s1
InChiKey VMHSXXYBIGKEMM-CDOGOKGZSA-N
Formula C25H29F2NO2 Molecular Weight 413.50
Cross Link CHEMBL306781
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
 

 

27700 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00349571'),None, txtsearch, CFAMM00349571|