COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046247
Chemical Name: 3-[(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]phenolate
Smiles: C=CCn1c(N/N=C/c2cccc(c2)[O-])[nH+]c2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 354.37
Empirical Formula: C17H18N6O3

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.658
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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