COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK998167
Chemical Name: (3E)-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Smiles: COc1cccc(c1)C(=O)/C=c\1/[nH]c2ccc(cc2oc1=O)[N+](=O)[O-]

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Molecular Weight: 340.29
Empirical Formula: C17H12N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.583
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 3

     

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