COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262640
Chemical Name: 1,3-dimethyl-8-{4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C)/C=C/c1ccccc1

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Molecular Weight: 394.43
Empirical Formula: C20H22N6O3

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 1.043
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 92
Number of rings: 4

     

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