CFam Chemical Families Database
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You are searching for "CFAMM00289041" 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 CFAMM00289041
Family CFFID3341 Reverse transcriptase Inhibitor PT-102 Family
Superfamily CFSID2317 Reverse transcriptase Inhibitor PT-102 Superfamily
Class CFCID756 Class 2106
External ID CHEMBL69952 External Source CHEMBL
PubChem CID 3001803 Functional Category Bioactive
Molecule Name DDE172
IUPAC Name 1-(5-bromopyridin-2-yl)-3-(2-piperidin-1-ylethyl)thiourea
Synonyms AC1MHDZ3;CHEBI:211689;1-(5-bromopyridin-2-yl)-3-(2-piperidin-1-ylethyl)thiourea;N-[2-(1-piperidinylethyl)-N'-[2-(5-bromopyridyl)]-thiourea
InChi InChI=1S/C13H19BrN4S/c14-11-4-5-12(16-10-11)17-13(19)15-6-9-18-7-2-1-3-8-18/h4-5,10H,1-3,6-9H2,(H2,15,16,17,19)
InChiKey OJYPMRCJFGEHKN-UHFFFAOYSA-N
Formula C13H19BrN4S Molecular Weight 343.29
Cross Link CHEMBL69952
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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