CFam Chemical Families Database
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You are searching for "CFAMM00228804" in compound.

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CFAM Mol ID CFAMM00228804
Family CFFID1134 Steroid 17-alpha-hydroxylase/17,20 lyase and Aromatase Inhibitor 1-ethyl-5-(imidazol-1-yl-phenyl-methyl)-1h-indole Family
Superfamily CFSID920 Steroid 17-alpha-hydroxylase/17,20 lyase and Aromatase Inhibitor 1-ethyl-5-(imidazol-1-yl-phenyl-methyl)-1h-indole Superfamily
Class CFCID639 Class 1989
External ID CHEMBL187768 External Source CHEMBL
PubChem CID 44397706 Functional Category Bioactive
Molecule Name AGN-PC-075HMZ
IUPAC Name 4-[3-[2-(7-methyl-1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine
Synonyms CHEBI:415598;4-[3-[2-(7-methyl-1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine
InChi InChI=1S/C26H28N6S/c1-18-7-6-9-21-20(17-28-24(18)21)13-16-33-26-31-30-25(32(26)15-5-4-14-27)23-12-11-19-8-2-3-10-22(19)29-23/h2-3,6-12,17,28H,4-5,13-16,27H2,1H3
InChiKey XFPKKPUAPZGFCK-UHFFFAOYSA-N
Formula C26H28N6S Molecular Weight 456.61
Cross Link CHEMBL187768
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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