COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780198
Chemical Name: 1,3,7-trimethyl-8-({1-[2-(morpholin-4-yl)-2-oxoethyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(N1CCOCC1)Cn1nc(nc1Sc1nc2c(n1C)c(=O)n(c(=O)n2C)C)[N+](=O)[O-]

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Molecular Weight: 465.45
Empirical Formula: C16H19N9O6S

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 0.916
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 189
Number of rings: 4

     

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