COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262637
Chemical Name: 8-{4-[(3-chlorophenyl)carbonyl]piperazin-1-yl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1)C(=O)N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

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Molecular Weight: 402.84
Empirical Formula: C18H19ClN6O3

Physical State: Dry powder
Available Amount: 35 mg

Lipinsky:
logP: 0.537
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 92
Number of rings: 4

     

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