CFam Chemical Families Database
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You are searching for "CFAMM00301477" 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 CFAMM00301477
Family CFFID4035 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(4-methoxybenzyl)methylphenidate Family
Superfamily CFSID2735 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(4-methoxybenzyl)methylphenidate Superfamily
Class CFCID1623 Class 2973
External ID CHEMBL2031967 External Source CHEMBL
PubChem CID 10393880 Functional Category Bioactive
Molecule Name 1-[4-[(3,5-ditert-butyl-4-methoxyphenyl)methyl]piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one
IUPAC Name 1-[4-[(3,5-ditert-butyl-4-methoxyphenyl)methyl]piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one
Synonyms SureCN5076795
InChi InChI=1S/C38H50F2N2O2/c1-37(2,3)33-24-27(25-34(36(33)44-7)38(4,5)6)26-41-20-22-42(23-21-41)35(43)11-9-8-10-32(28-12-16-30(39)17-13-28)29-14-18-31(40)19-15-29/h12-19,24-25,32H,8-11,20-23,26H2,1-7H3
InChiKey WFWWRMLXRXPPQR-UHFFFAOYSA-N
Formula C38H50F2N2O2 Molecular Weight 604.81
Cross Link CHEMBL2031967
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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