COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK900084
Chemical Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-[(pentafluorobenzyl)oxy]-4H-chromen-4-one
Smiles: Cc1oc2cc(OCc3c(F)c(F)c(c(c3F)F)F)ccc2c(=O)c1c1ccc2c(c1)OCCCO2

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Molecular Weight: 504.41
Empirical Formula: C26H17F5O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.068
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 53
Number of rings: 5

     

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