CFam Chemical Families Database
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You are searching for "CFAMM00289038" 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 CFAMM00289038
Family CFFID3341 Reverse transcriptase Inhibitor PT-102 Family
Superfamily CFSID2317 Reverse transcriptase Inhibitor PT-102 Superfamily
Class CFCID756 Class 2106
External ID DNC012302 External Source TTD
PubChem CID 2429552 Functional Category Investigative Drug
Molecule Name PT-102
IUPAC Name 1-(5-bromopyridin-2-yl)-3-(2-phenylethyl)thiourea
Synonyms PT-102;T0517-4028;Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-;149487-00-3;PETT Analog 52;AC1M6SPL;MLS000517095;CHEMBL317356;MolPort-002-358-086;HMS2674B12
InChi InChI=1S/C14H14BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,17,18,19)
InChiKey FKDHVFZSRUETTG-UHFFFAOYSA-N
Formula C14H14BrN3S Molecular Weight 336.25
Cross Link CHEMBL317356
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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