CFam Chemical Families Database
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You are searching for "CFAMM00087562" in compound.

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CFAM Mol ID CFAMM00087562
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 CHEMBL31831 External Source CHEMBL
PubChem CID 44279066 Functional Category Bioactive
Molecule Name (E)-but-2-enedioic acid;2-phenylethyl (1R,3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name (E)-but-2-enedioic acid;2-phenylethyl (1R,3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms CHEBI:142235
InChi InChI=1S/C24H27NO4.C4H4O4/c1-25-19-12-13-20(25)22(24(27)28-15-14-17-8-4-2-5-9-17)21(16-19)29-23(26)18-10-6-3-7-11-18;5-3(6)1-2-4(7)8/h2-11,19-22H,12-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20?,21+,22?;/m1./s1
InChiKey PJVFQOMRWBEBDG-UVJYRMSESA-N
Formula C28H31NO8 Molecular Weight 509.55
Cross Link CHEMBL31831
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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