COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036439
Chemical Name: 1-[(1E)-3-(4-benzylpiperidin-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2(1H)-one
Smiles: COc1cc(ccc1OC)/C=C(/n1ccccc1=O)\C(=O)N1CCC(CC1)Cc1ccccc1

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Molecular Weight: 458.56
Empirical Formula: C28H30N2O4

Physical State: Dry powder
Available Amount: 777 mg

Lipinsky:
logP: 4.095
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 59
Number of rings: 4

     

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