COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564749
Chemical Name: 2-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl)acetyl]hydrazinylidene}methyl]-6-(prop-2-en-1-yl)phenolate
Smiles: C=CCc1cccc(c1[O-])/C=N/NC(=O)Cn1c[nH+]c2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 396.41
Empirical Formula: C19H20N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.866
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 124
Number of rings: 3

     

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