COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK497240
Chemical Name: methyl2-[({[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSc1nc2c(n1c1ccc(cc1)C)nc[nH]c2=O

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Molecular Weight: 449.49
Empirical Formula: C22H19N5O4S

Physical State: Dry powder
Available Amount: 19 mg

Lipinsky:
logP: 4.926
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 139
Number of rings: 4

     

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