COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK068564
Chemical Name: methyl4-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]hydrazinylidene}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 398.38
Empirical Formula: C18H18N6O5

Physical State: Dry powder
Available Amount: 159 mg

Lipinsky:
logP: 2.178
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 3

     

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