COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558948
Chemical Name: 4-[(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]-3-hydroxyphenolate
Smiles: C=CCn1c(N/N=C/c2ccc(cc2O)[O-])[nH+]c2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 370.37
Empirical Formula: C17H18N6O4

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.783
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 127
Number of rings: 3

     

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