COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK530067
Chemical Name: 8-(1,3-benzodioxol-5-yloxy)-7-(2,6-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1Cn1c(Oc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)C)Cl

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Molecular Weight: 475.29
Empirical Formula: C21H16Cl2N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.352
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 86
Number of rings: 5

     

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