COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK580736
Chemical Name: 7-(2,3-dihydroxypropyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(CN2CCN(CC2)c2ccc(cc2)OC)nc2c1c(=O)n(c(=O)n2C)C)O

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Molecular Weight: 458.52
Empirical Formula: C22H30N6O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.137
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 114
Number of rings: 4

     

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