COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK937780
Chemical Name: 7-heptyl-6-hydroxy-3-methyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 441.49
Empirical Formula: C21H27N7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.176
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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