COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK938813
Chemical Name: 7-(2-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1Cl)c(n2)n1nc(cc1C)C

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Molecular Weight: 442.9
Empirical Formula: C21H23ClN6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.582
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 85
Number of rings: 4

     

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