COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL436597
Chemical Name: N-[(E)-1,3-benzodioxol-5-ylmethylidene]-4,6-dinitro-N'-phenylbenzene-1,3-diamine
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c(cc1/N=C/c1ccc2c(c1)OCO2)Nc1ccccc1

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Molecular Weight: 406.35
Empirical Formula: C20H14N4O6

Physical State: Dry powder
Available Amount: 132 mg

Lipinsky:
logP: 5.994
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 4

     

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