COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL152757
Chemical Name: 1-(3-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(nc2c1c(=O)n(Cc1cccc(c1)Cl)c(=O)n2C)n1nc(cc1C)C)C

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Molecular Weight: 440.93
Empirical Formula: C22H25ClN6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.982
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 76
Number of rings: 4

     

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