COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442973
Chemical Name: ethyl4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-6-methyl-8-sulfanyl-7,8-dihydro-9H-purin-9-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc(C)c2c(n1)N(c1ccc(cc1)C(=O)OCC)C(N2)S

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Molecular Weight: 479.56
Empirical Formula: C24H25N5O4S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 3.695
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 144
Number of rings: 4

     

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