COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK556359
Chemical Name: 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1

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Molecular Weight: 426.43
Empirical Formula: C20H22N6O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.164
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 124
Number of rings: 4

     

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