COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593013
Chemical Name: 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 444.96
Empirical Formula: C22H29ClN6O2

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.477
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 64
Number of rings: 4

     

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