COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK618784
Chemical Name: methyl{3,9-dimethyl-6,8-dioxo-7-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-1(4H)-yl}acetate
Smiles: COC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)C/C=C/c1ccccc1

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Molecular Weight: 422.44
Empirical Formula: C21H22N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.159
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 100
Number of rings: 4

     

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