CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00029104" in compound.

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CFAM Mol ID CFAMM00029104
Family CFFAD163 Serotonin re-uptake Inhibitor Fluoxetine Family
Superfamily CFSAD152 monoamine reuptake and receptor binding Fluoxetine Reboxetine Bevantolol Nebivolol Superfamily
Class CFCAD149 Class 149
External ID CHEMBL39644 External Source CHEMBL
PubChem CID 44285561 Functional Category Bioactive
Molecule Name AGN-PC-073LR3
IUPAC Name 1-[[4-[(4-ethylphenoxy)methyl]phenyl]methyl]piperidine;oxalic acid
Synonyms CHEBI:156047;Piperidine, 1-[[4-[(4-ethylphenoxy)methyl]phenyl]methyl]-, ethanedioate(1:1)
InChi InChI=1S/C21H27NO.C2H2O4/c1-2-18-10-12-21(13-11-18)23-17-20-8-6-19(7-9-20)16-22-14-4-3-5-15-22;3-1(4)2(5)6/h6-13H,2-5,14-17H2,1H3;(H,3,4)(H,5,6)
Formula C21H27NO.C2H2O4 Molecular Weight 399.48
Cross Link CHEMBL39644

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).

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National University of Singapore, Singapore

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