COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540180
Chemical Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCN(CC1)C)O

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Molecular Weight: 458.52
Empirical Formula: C22H30N6O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.118
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 103
Number of rings: 4

     

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