COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK204804
Chemical Name: 2-(4-nitrophenyl)-2-oxoethyl4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
Smiles: O=C(OCC(=O)c1ccc(cc1)[N+](=O)[O-])CCC(=O)c1ccc2c(c1)OCCO2

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Molecular Weight: 399.36
Empirical Formula: C20H17NO8

Physical State: Dry powder
Available Amount: 255 mg

Lipinsky:
logP: 3.175
Rotatable bonds: 7
H-donors: 0
H-acceptors: 8
PSA: 124
Number of rings: 3

     

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