COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK983725
Chemical Name: (2E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-bromophenyl)prop-2-en-1-one
Smiles: Brc1ccc(cc1)C(=O)/C=C/Nc1ccc2c(c1)OCO2

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Molecular Weight: 346.18
Empirical Formula: C16H12BrNO3

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 4.06
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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