COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016857
Chemical Name: 3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C

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Molecular Weight: 403.42
Empirical Formula: C17H17N5O5S

Physical State: Dry powder
Available Amount: 377 mg

Lipinsky:
logP: 2.742
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 3

     

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