COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593374
Chemical Name: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C

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Molecular Weight: 507.04
Empirical Formula: C27H31ClN6O2

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 4.578
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 64
Number of rings: 5

     

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