CFam Chemical Families Database
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You are searching for "CFAMM00378339" in compound.

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CFAM Mol ID CFAMM00378339
Family CFFBM7233 Gonadotropin-releasing hormone receptor ligand 1-(3-azabicyclo[2.2.2]octan-3-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-[2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethylamino]propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one family
Superfamily CFSBM485 Gonadotropin-releasing hormone receptor and Beta-lactamase Binder Superfamily
Class CFCAD173 Class 173
External ID CHEMBL168498 External Source CHEMBL
PubChem CID 44380643 Functional Category Bioactive
Molecule Name methyl 6-[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]-1H-benzimidazole-2-carboxylate
IUPAC Name methyl 6-[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]-1H-benzimidazole-2-carboxylate
Synonyms CHEBI:380773
InChi InChI=1S/C41H49N5O3/c1-24-17-25(2)19-29(18-24)37-36(26(3)22-42-16-15-27-9-13-34-35(20-27)45-38(44-34)39(47)49-6)32-21-30(10-14-33(32)43-37)41(4,5)40(48)46-23-28-7-11-31(46)12-8-28/h9-10,13-14,17-21,26,28,31,42-43H,7-8,11-12,15-16,22-23H2,1-6H3,(H,44,45)/t26-,28?,31?/m1/s1
InChiKey VUEWGUYETSYJTE-WPCLDFDBSA-N
Formula C41H49N5O3 Molecular Weight 659.86
Cross Link CHEMBL168498
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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