COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136380
Chemical Name: 2-(4-nitrophenyl)-2-oxoethyl4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate
Smiles: O=C(c1ccc(cc1)C#CC(O)(C)C)OCC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 367.36
Empirical Formula: C20H17NO6

Physical State: Dry powder
Available Amount: 128 mg

Lipinsky:
logP: 4.232
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 109
Number of rings: 2

     

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