COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK902570
Chemical Name: (2E)-3-(1,3-benzodioxol-5-ylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
Smiles: O=C(c1ccc(c(c1)C)C)/C=C/Nc1ccc2c(c1)OCO2

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Molecular Weight: 295.34
Empirical Formula: C18H17NO3

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 4.039
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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