COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL576773
Chemical Name: (2E)-3-{4-[(6-bromohexyl)oxy]phenyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
Smiles: BrCCCCCCOc1ccc(cc1)/C=C/C(=O)c1ccc2c(c1)OCCO2

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Molecular Weight: 445.35
Empirical Formula: C23H25BrO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.643
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 44
Number of rings: 3

     

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