COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK642596
Chemical Name: 6-hydroxy-3-methyl-7-{(2E)-2-[(2E)-(4-nitrobenzylidene)hydrazinylidene]ethyl}-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: [O-][N+](=O)c1ccc(cc1)/C=N/N=C/Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1

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Molecular Weight: 438.45
Empirical Formula: C20H22N8O4

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 1.905
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 144
Number of rings: 4

     

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