CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00293939" 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 CFAMM00293939
Family CFFID3581 Reverse transcriptase Inhibitor PT-113 Family
Superfamily CFSID2466 Reverse transcriptase Inhibitor PT-113 Superfamily
Class CFCID1463 Class 2813
External ID DNC012511 External Source TTD
PubChem CID 3001079 Functional Category Investigative Drug
Molecule Name PT-113
IUPAC Name 3-[2-[(5-bromopyridin-2-yl)carbamothioylamino]ethyl]-2,4-difluoro-N-methylbenzamide
Synonyms AC1MHDJY;LY300046HCl Analog 2;CHEMBL317574;DNC012511;3-[2-[(5-bromopyridin-2-yl)carbamothioylamino]ethyl]-2,4-difluoro-N-methylbenzamide;N-[2-(2,6-Difluoro-3-(formamidomethyl)phenethyl)]-N'-[2-(5-bromopyridyl)]thiourea
InChi InChI=1S/C16H15BrF2N4OS/c1-20-15(24)11-3-4-12(18)10(14(11)19)6-7-21-16(25)23-13-5-2-9(17)8-22-13/h2-5,8H,6-7H2,1H3,(H,20,24)(H2,21,22,23,25)
Formula C16H15BrF2N4OS Molecular Weight 429.28
Cross Link CHEMBL317574

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).

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