CFam Chemical Families Database
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You are searching for "CFAMM00157089" in compound.

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CFAM Mol ID CFAMM00157089
Family CFFCD421 Substance-P receptor Ligand Ezlopitant Family
Superfamily CFSCD383 Substance-P receptor Ligand Ezlopitant Superfamily
Class CFCAD120 Class 120
External ID CHEMBL52220 External Source CHEMBL
PubChem CID 44294821 Functional Category Bioactive
Molecule Name SureCN5419354
IUPAC Name (3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Synonyms CHEBI:176038
InChi InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28?/m0/s1
InChiKey FLNYLINBEZROPL-MBMZGMDYSA-N
Formula C28H32N2O Molecular Weight 412.57
Cross Link CHEMBL52220
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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