COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472686
Chemical Name: (2E)-3-(5-bromo-2-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)ccc1OCc1cccc(c1)C(F)(F)F)/C(=O)Nc1ccc2c(c1)OCCO2

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Molecular Weight: 559.34
Empirical Formula: C26H18BrF3N2O4

Physical State: Dry powder
Available Amount: 376 mg

Lipinsky:
logP: 6.753
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 80
Number of rings: 4

     

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