COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL093812
Chemical Name: N-(1,3-benzodioxol-5-yl)-2-{[3-(butan-2-yl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCC(n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)[nH]c(c2)C)C

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Molecular Weight: 414.49
Empirical Formula: C20H22N4O4S

Physical State: Dry powder
Available Amount: 128 mg

Lipinsky:
logP: 3.121
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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