COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK642108
Chemical Name: 6-hydroxy-3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-7-(2-phenylethyl)-3,7-dihydro-2H-purin-2-one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nc2c(n1CCc1ccccc1)c(O)nc(=O)n2C

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Molecular Weight: 465.49
Empirical Formula: C22H19N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.705
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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