COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552870
Chemical Name: 2-{[5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)[N+](=O)[O-])nn2)CCCC3

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Molecular Weight: 471.58
Empirical Formula: C20H17N5O3S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.209
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 184
Number of rings: 5

     

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