COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL093712
Chemical Name: methyl4-({[(3-butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Smiles: CCCCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nc2c(c1=O)[nH]c(c2)C

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Molecular Weight: 428.51
Empirical Formula: C21H24N4O4S

Physical State: Dry powder
Available Amount: 79 mg

Lipinsky:
logP: 3.807
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 129
Number of rings: 3

     

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