CFam Chemical Families Database
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You are searching for "CFAMM00301552" in compound.

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CFAM Mol ID CFAMM00301552
Family CFFID4036 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(2-methylpyridine)methylphenidate Family
Superfamily CFSID2736 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(2-methylpyridine)methylphenidate Superfamily
Class CFCCD314 Class 1127
External ID CHEMBL1921922 External Source CHEMBL
PubChem CID 57401170 Functional Category Bioactive
Molecule Name [(3R)-1-[3-(6-methylpyridin-3-yl)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
IUPAC Name [(3R)-1-[3-(6-methylpyridin-3-yl)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
Synonyms SureCN13573823
InChi InChI=1S/C30H42N3O2/c1-24-13-14-25(22-31-24)10-9-19-33-20-15-26(16-21-33)28(23-33)35-29(34)30(2,27-11-5-3-6-12-27)32-17-7-4-8-18-32/h3,5-6,11-14,22,26,28H,4,7-10,15-21,23H2,1-2H3/q+1/t26?,28-,30-,33?/m0/s1
Formula C30H42N3O2 Molecular Weight 476.67
Cross Link CHEMBL1921922

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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