CFam Chemical Families Database
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You are searching for "CFAMM00436280" in compound.

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CFAM Mol ID CFAMM00436280
Family CFFBM15893 Gonadotropin-releasing hormone receptor ligand methyl 4-[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]pyridine-2-carboxylate family
Superfamily CFSAD863 5-hydroxytryptamine receptor Ligand Metergolin Superfamily
Class CFCAD447 Class 447
External ID CHEMBL79639 External Source CHEMBL
PubChem CID 44460343 Functional Category Bioactive
Molecule Name 1-(3-azabicyclo[2.2.2]octan-3-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-[2-[2-(methoxymethyl)pyridin-4-yl]ethylamino]propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one
IUPAC Name 1-(3-azabicyclo[2.2.2]octan-3-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-[2-[2-(methoxymethyl)pyridin-4-yl]ethylamino]propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one
Synonyms CHEBI:229052
InChi InChI=1S/C39H50N4O2/c1-25-17-26(2)19-30(18-25)37-36(27(3)22-40-15-13-28-14-16-41-32(20-28)24-45-6)34-21-31(9-12-35(34)42-37)39(4,5)38(44)43-23-29-7-10-33(43)11-8-29/h9,12,14,16-21,27,29,33,40,42H,7-8,10-11,13,15,22-24H2,1-6H3/t27-,29?,33?/m1/s1
InChiKey NTTUYAKUHPPEFP-IGYBLTPGSA-N
Formula C39H50N4O2 Molecular Weight 606.84
Cross Link CHEMBL79639
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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