CFam Chemical Families Database
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You are searching for "CFAMM00293966" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00293966
Family CFFID3583 Reverse transcriptase Inhibitor PT-109 Family
Superfamily CFSID2281 Reverse transcriptase and Macrophage migration inhibitory factor Binder Superfamily
Class CFCAD88 Class 88
External ID DNC012514 External Source TTD
PubChem CID 3001133 Functional Category Investigative Drug
Molecule Name PT-114
IUPAC Name 1-(5-chloropyridin-2-yl)-3-[2-[4-(dimethylamino)-2,6-difluorophenyl]ethyl]thiourea
Synonyms 181305-49-7;N-(2-(-2,6-Difluoro-4-(dimethylamino)phenethyl))-N'-(2-(5-chloropyridyl))thiourea;N-[2-(-2,6-Difluoro-4-(dimethylamino)phenethyl)]-N'-[2-(5-chloropyridyl)]thiourea;Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(4-(dimethylamino)-2,6-difluorophenyl)ethyl)-;Thiourea, N-(5-chloro-2-pyridinyl)-N'-[2-[4-(dimethylamino)-2,6-difluorophenyl]ethyl]-;AC1MHDLG;CHEMBL99896;LY300046HCl Analog 30;DNC012514;1-(5-chloropyridin-2-yl)-3-[2-[4-(dimethylamino)-2,6-difluorophenyl]ethyl]thiourea
InChi InChI=1S/C16H17ClF2N4S/c1-23(2)11-7-13(18)12(14(19)8-11)5-6-20-16(24)22-15-4-3-10(17)9-21-15/h3-4,7-9H,5-6H2,1-2H3,(H2,20,21,22,24)
InChiKey CTKOUWBTBJGZKA-UHFFFAOYSA-N
Formula C16H17ClF2N4S Molecular Weight 370.85
Cross Link CHEMBL99896
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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