COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL093829
Chemical Name: 2-{[3-(butan-2-yl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethoxybenzyl)acetamide
Smiles: CCC(n1c(SCC(=O)NCc2ccc(c(c2)OC)OC)nc2c(c1=O)[nH]c(c2)C)C

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Molecular Weight: 444.55
Empirical Formula: C22H28N4O4S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 2.408
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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