COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL308292
Chemical Name: (1E,4E)-1-(1,3-benzodioxol-5-yl)-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one
Smiles: O=C(/C=C/c1ccc2c(c1)OCO2)/C=C/c1ccc(cc1)N(C)C

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Molecular Weight: 321.38
Empirical Formula: C20H19NO3

Physical State: Dry powder
Available Amount: 217 mg

Lipinsky:
logP: 5.5
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 38
Number of rings: 3

     

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