COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK075129
Chemical Name: (2E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-bromophenyl)but-2-en-1-one
Smiles: C/C(=C\C(=O)c1ccc(cc1)Br)/Nc1ccc2c(c1)OCO2

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Molecular Weight: 360.21
Empirical Formula: C17H14BrNO3

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 4.612
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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