COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK127091
Chemical Name: 1-{(1E)-1-(3,4-dimethoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxoprop-1-en-2-yl}pyridin-2(1H)-one
Smiles: COc1cc(ccc1OC)/C=C(/n1ccccc1=O)\C(=O)N1CCN(CC1)c1cccc(c1C)C

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Molecular Weight: 473.57
Empirical Formula: C28H31N3O4

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 3.222
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 62
Number of rings: 4

     

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