COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK844953
Chemical Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1cccc(c1)Cl)C

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Molecular Weight: 444.96
Empirical Formula: C22H29ClN6O2

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.955
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 64
Number of rings: 4

     

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