COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK388768
Chemical Name: 2-[4-(4-chloro-2-nitrophenoxy)phenyl]-2-oxoethyl4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)C(=O)COC(=O)c1c(C)cc(=O)oc1C

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Molecular Weight: 457.82
Empirical Formula: C22H16ClNO8

Physical State: Dry powder
Available Amount: 515 mg

Lipinsky:
logP: 4.371
Rotatable bonds: 5
H-donors: 0
H-acceptors: 8
PSA: 124
Number of rings: 3

     

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