COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055429
Chemical Name: 3-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl3-nitrobenzoate
Smiles: Clc1cccc(c1)C1=N/C(=C\c2cccc(c2)OC(=O)c2cccc(c2)[N+](=O)[O-])/C(=O)O1

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Molecular Weight: 448.82
Empirical Formula: C23H13ClN2O6

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 5.76
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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