COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525999
Chemical Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-methyl-4H-chromen-4-one
Smiles: Cc1oc2cc(ccc2c(=O)c1c1ccc2c(c1)OCCCO2)Oc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

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Molecular Weight: 558.42
Empirical Formula: C26H17F3N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.465
Rotatable bonds: 2
H-donors: 0
H-acceptors: 9
PSA: 145
Number of rings: 5

     

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