CFam Chemical Families Database
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You are searching for "CFAMM00458489" in compound.

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CFAM Mol ID CFAMM00458489
Family CFFBM21192 Reverse transcriptase/RNaseH inhibitor 181305-52-2 family
Superfamily CFSID39 Carbonic anhydrase 2 and Dipeptidyl peptidase 4 Binder Superfamily
Class CFCID23 Class 1373
External ID CHEMBL135804 External Source CHEMBL
PubChem CID 3001136 Functional Category Bioactive
Molecule Name 181305-52-2
IUPAC Name 1-(5-cyanopyridin-2-yl)-3-[2-(1-methylpyrrol-2-yl)ethyl]thiourea
Synonyms N-(2-(1-Methylpyrrolyl)ethyl)-N'-(2-(5-cyanopyridyl))thiourea;N-[2-(1-Methylpyrrolyl)ethyl]-N'-[2-(5-cyanopyridyl)]thiourea;Thiourea, N-(5-cyano-2-pyridinyl)-N'-(2-(1-methyl-1H-pyrrol-2-yl)ethyl)-;Thiourea, N-(5-cyano-2-pyridinyl)-N'-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]-;AC1MHDLJ;LY300046HCl Analog 33;1-(5-cyanopyridin-2-yl)-3-[2-(1-methylpyrrol-2-yl)ethyl]thiourea
InChi InChI=1S/C14H15N5S/c1-19-8-2-3-12(19)6-7-16-14(20)18-13-5-4-11(9-15)10-17-13/h2-5,8,10H,6-7H2,1H3,(H2,16,17,18,20)
InChiKey ZHALZSRGISCBSZ-UHFFFAOYSA-N
Formula C14H15N5S Molecular Weight 285.37
Cross Link CHEMBL135804
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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