COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005710
Chemical Name: 7-[(2E)-3-chlorobut-2-en-1-yl]-8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)/C(=N/Nc1nc2c(n1C/C=C(/Cl)\C)c(=O)n(c(=O)n2C)C)/C

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Molecular Weight: 430.89
Empirical Formula: C20H23ClN6O3

Available Amount: 0 mg

Lipinsky:
logP: 4.29
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 92
Number of rings: 3

     

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