COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL336653
Chemical Name: 1,3,7-trimethyl-8-[(3-nitrobenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: [O-][N+](=O)c1cccc(c1)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 361.38
Empirical Formula: C15H15N5O4S

Physical State: Dry powder
Available Amount: 243 mg

Lipinsky:
logP: 2.847
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 129
Number of rings: 3

     

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