COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382882
Chemical Name: (4E)-4-(2,4-dimethoxybenzylidene)-2-(3,5-dinitrophenyl)-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(c(c1)OC)/C=C\1/N=C(OC1=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 399.32
Empirical Formula: C18H13N3O8

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 3.111
Rotatable bonds: 3
H-donors: 0
H-acceptors: 8
PSA: 148
Number of rings: 3

     

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