COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK585572
Chemical Name: 7-butyl-8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 458.99
Empirical Formula: C23H31ClN6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.008
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 64
Number of rings: 4

     

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