COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039586
Chemical Name: {[4-(4-methylphenyl)-5-oxo-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[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)n2c1ccc(cc1)C)CC(OC3)C(C)C

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Molecular Weight: 470.57
Empirical Formula: C22H22N4O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.09
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 155
Number of rings: 5

     

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