COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262636
Chemical Name: 8-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)C(=O)N1CCN(CC1)c1nc2c([nH]1)c(=O)n(c(=O)n2C)C

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Molecular Weight: 402.84
Empirical Formula: C18H19ClN6O3

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 0.505
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 92
Number of rings: 4

     

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