COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK065529
Chemical Name: 1,3-dimethyl-7-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])Cn1cnc2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 427.42
Empirical Formula: C19H21N7O5

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 1.171
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 127
Number of rings: 4

     

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