COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL433064
Chemical Name: methyl4-(2-{[4-(methoxycarbonyl)phenyl]amino}-6-methyl-8-sulfanyl-9H-purin-9-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)Nc1nc(C)c2c(n1)n(c1ccc(cc1)C(=O)OC)c(n2)S

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Molecular Weight: 449.49
Empirical Formula: C22H19N5O4S

Physical State: Dry powder
Available Amount: 82 mg

Lipinsky:
logP: 4.907
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 147
Number of rings: 4

     

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