COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427105
Chemical Name: (4E)-4-[4-(hexyloxy)benzylidene]-3-(3-nitrophenyl)-1,2-oxazol-5(4H)-one
Smiles: CCCCCCOc1ccc(cc1)/C=C\1/C(=O)ON=C1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 6.214
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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