CFam Chemical Families Database
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You are searching for "CFAMM00007845" 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.

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CFAM Mol ID CFAMM00007845
Family CFFAD42 5-alpha reductase inhibitor azasteroid derivative Dutasteride family
Superfamily CFSAD42 5-alpha reductase inhibitor azasteroid derivative Dutasteride Superfamily
Class CFCAD42 Class 42
External ID CHEMBL392814 External Source CHEMBL
PubChem CID 44442593 Functional Category Bioactive
Molecule Name SureCN5127087
IUPAC Name N-[2-[[(2S)-1-(tert-butylamino)-3-[(2,4-dimethylphenyl)methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-(ethylamino)-5-(trifluoromethyl)benzamide
Synonyms CHEBI:514769
InChi InChI=1S/C28H38F3N5O3/c1-7-33-22-12-20(11-21(13-22)28(29,30)31)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)10-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1
InChiKey DSFQNRDBSSXAGS-QHCPKHFHSA-N
Formula C28H38F3N5O3 Molecular Weight 549.63
Cross Link CHEMBL392814
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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