COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK851069
Chemical Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1n(C)c(=O)c2c(n1C)nc(n2CCSc1nnnn1c1ccccc1)N(Cc1ccccc1)C

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Molecular Weight: 503.59
Empirical Formula: C24H25N9O2S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.393
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 130
Number of rings: 5

     

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