COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK728188
Chemical Name: 2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Smiles: O=c1cc(C)c(c(o1)C)C(=O)OCC(=O)c1ccc(cc1)Oc1c(Cl)cccc1[N+](=O)[O-]

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Molecular Weight: 457.82
Empirical Formula: C22H16ClNO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.153
Rotatable bonds: 5
H-donors: 0
H-acceptors: 8
PSA: 124
Number of rings: 3

     

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