CFam Chemical Families Database
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You are searching for "CFAMM00087544" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00087544
Family CFFAD602 Dopamine reuptake and Noradrenergic re-uptake Inhibitor Cocaine Family
Superfamily CFSAD515 Dopamine reuptake and Noradrenergic re-uptake Inhibitor Cocaine Superfamily
Class CFCAD473 Class 473
External ID CHEMBL283154 External Source CHEMBL
PubChem CID 44457862 Functional Category Bioactive
Molecule Name AGN-PC-00GOK2
IUPAC Name benzyl 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms CHEBI:127958;benzyl (1R,3S,4S,5S)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
InChi InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
InChiKey DCRIIMMZVJPZAH-UHFFFAOYSA-N
Formula C29H29F2NO3 Molecular Weight 477.54
Cross Link CHEMBL283154
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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