COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK762829
Chemical Name: 1,3,7-trimethyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 389.39
Empirical Formula: C16H15N5O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.573
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 146
Number of rings: 3

     

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