CFam Chemical Families Database
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You are searching for "CFAMM00007945" 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 CFAMM00007945
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 CHEMBL2381342 External Source CHEMBL
PubChem CID 46931012 Functional Category Bioactive
Molecule Name BIX02189
IUPAC Name (3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-N,N-dimethyl-2-oxo-1H-indole-6-carboxamide
Synonyms BIX 02189;1094614-85-3;BIX-02189;BIX02189, BIX 02189;S1531_Selleck;cc-46;SureCN12700719;MolPort-009-679-485;CS-0215
InChi InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,28H,17H2,1-4H3,(H,29,32)/b25-24-
InChiKey HOMJAAIVTDVQJA-IZHYLOQSSA-N
Formula C27H28N4O2 Molecular Weight 440.54
Cross Link CHEMBL2381342
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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