CFam Chemical Families Database
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You are searching for "CFAMM00112533" in compound.

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CFAM Mol ID CFAMM00112533
Family CFFAD909 Nicotinic acetylcholine receptor Ligand Benztropine Mesylate Family
Superfamily CFSAD765 Nicotinic acetylcholine receptor Ligand Benztropine Mesylate Superfamily
Class CFCAD682 Class 682
External ID CHEMBL145552 External Source CHEMBL
PubChem CID 19797474 Functional Category Bioactive
Molecule Name AGN-PC-02K8GS
IUPAC Name 2-benzhydryl-3-[(2,5-difluorophenyl)methoxy]-1-azabicyclo[2.2.2]octane
Synonyms SureCN8800599;CHEBI:339848;2-benzhydryl-3-[(2,5-difluorophenyl)methoxy]-1-azabicyclo[2.2.2]octane
InChi InChI=1S/C27H27F2NO/c28-23-11-12-24(29)22(17-23)18-31-27-21-13-15-30(16-14-21)26(27)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,21,25-27H,13-16,18H2
InChiKey PKFHCOCRXHWTGR-UHFFFAOYSA-N
Formula C27H27F2NO Molecular Weight 419.51
Cross Link CHEMBL145552
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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