CFam Chemical Families Database
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You are searching for "CFAMM00301685" in compound.

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CFAM Mol ID CFAMM00301685
Family CFFID4040 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-3',4'-dichloromethylphenidate Amide Family
Superfamily CFSID2739 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-3',4'-dichloromethylphenidate Amide Superfamily
Class CFCID1625 Class 2975
External ID CHEMBL460845 External Source CHEMBL
PubChem CID 44590586 Functional Category Bioactive
Molecule Name N-[(1S)-3-[4-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
IUPAC Name N-[(1S)-3-[4-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
Synonyms CHEBI:618187
InChi InChI=1S/C30H39Cl2N3O2/c1-3-35(29(36)20-22-12-13-26(31)27(32)19-22)25-14-16-34(17-15-25)21(2)18-28(23-8-5-4-6-9-23)33-30(37)24-10-7-11-24/h4-6,8-9,12-13,19,21,24-25,28H,3,7,10-11,14-18,20H2,1-2H3,(H,33,37)/t21?,28-/m0/s1
InChiKey ZAOPQQSGRPEDAY-QVWGJOIVSA-N
Formula C30H39Cl2N3O2 Molecular Weight 544.56
Cross Link CHEMBL460845
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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