CFam Chemical Families Database
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You are searching for "CFAMM00320560" in compound.

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CFAM Mol ID CFAMM00320560
Family CFFBM1206 Gonadotropin-releasing hormone receptor ligand 5-[2-[[(2S)-2-[5-[1-(3-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]amino]ethyl]-1-methylpyridin-2-one family
Superfamily CFSBM669 Gonadotropin-releasing hormone receptor and Thioredoxin glutathione reductase Binder Superfamily
Class CFCAD173 Class 173
External ID CHEMBL312864 External Source CHEMBL
PubChem CID 44321963 Functional Category Bioactive
Molecule Name 5-[2-[[(2S)-2-[5-[1-(3-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]amino]ethyl]-1-(methoxymethyl)pyridin-2-one
IUPAC Name 5-[2-[[(2S)-2-[5-[1-(3-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]amino]ethyl]-1-(methoxymethyl)pyridin-2-one
Synonyms CHEBI:242089
InChi InChI=1S/C39H50N4O3/c1-25-17-26(2)19-30(18-25)37-36(27(3)21-40-16-15-29-9-14-35(44)42(22-29)24-46-6)33-20-31(10-13-34(33)41-37)39(4,5)38(45)43-23-28-7-11-32(43)12-8-28/h9-10,13-14,17-20,22,27-28,32,40-41H,7-8,11-12,15-16,21,23-24H2,1-6H3/t27-,28?,32?/m1/s1
InChiKey WEXGSFGAVGLVMG-NGFHQYDQSA-N
Formula C39H50N4O3 Molecular Weight 622.84
Cross Link CHEMBL312864
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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