COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442888
Chemical Name: (3E)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one
Smiles: COc1cc(OC)ccc1C(=O)/C=c\1/[nH]c2cc([N+](=O)[O-])c(cc2[nH]c1=O)[N+](=O)[O-]

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Molecular Weight: 414.33
Empirical Formula: C18H14N4O8

Physical State: Dry powder
Available Amount: 391 mg

Lipinsky:
logP: 3.584
Rotatable bonds: 4
H-donors: 2
H-acceptors: 8
PSA: 168
Number of rings: 3

     

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