COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK720532
Chemical Name: 1-[(4-nitrobenzyl)sulfanyl]-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

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Molecular Weight: 489.58
Empirical Formula: C24H19N5O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.971
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 150
Number of rings: 6

     

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