COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514456
Chemical Name: (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one
Smiles: COc1c(/C=C/C(=O)c2ccc(cc2)Br)c(CCN(C)C)cc2c1OCO2

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Molecular Weight: 432.31
Empirical Formula: C21H22BrNO4

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 5.25
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 48
Number of rings: 3

     

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