COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566701
Chemical Name: 2-[(E)-{2-[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-6-methoxyphenolate
Smiles: C=CCn1c(N/N=C/c2cccc(c2[O-])OC)[nH+]c2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 384.39
Empirical Formula: C18H20N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.89
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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