COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046492
Chemical Name: {[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-2-ium-1-yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1[nH+]nc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

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Molecular Weight: 440.55
Empirical Formula: C21H20N4O3S2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 5.543
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 145
Number of rings: 5

     

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