CFam Chemical Families Database
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You are searching for "CFAMM00157118" in compound.

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CFAM Mol ID CFAMM00157118
Family CFFCD421 Substance-P receptor Ligand Ezlopitant Family
Superfamily CFSCD383 Substance-P receptor Ligand Ezlopitant Superfamily
Class CFCAD120 Class 120
External ID CHEMBL89652 External Source CHEMBL
PubChem CID 44321456 Functional Category Bioactive
Molecule Name (2S,3S)-2-benzhydryl-N-[(2-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
IUPAC Name (2S,3S)-2-benzhydryl-N-[(2-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Synonyms CHEBI:241203
InChi InChI=1S/C29H34N2O/c1-2-32-26-16-10-9-15-25(26)21-30-28-24-17-19-31(20-18-24)29(28)27(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,24,27-30H,2,17-21H2,1H3/t28-,29-/m0/s1
InChiKey GPUOQABHPXXQED-VMPREFPWSA-N
Formula C29H34N2O Molecular Weight 426.59
Cross Link CHEMBL89652
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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