COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK852068
Chemical Name: (2Z)-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl3-nitrobenzoate
Smiles: COc1c(ccc(c1OC)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 477.43
Empirical Formula: C25H19NO9

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.429
Rotatable bonds: 7
H-donors: 0
H-acceptors: 9
PSA: 126
Number of rings: 4

     

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