COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK818180
Chemical Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-(3-nitrophenyl)-1-(2-phenylethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C1C(=C(C(N1CCc1ccccc1)c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc2c(c1)OCCO2)O

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Molecular Weight: 486.48
Empirical Formula: C27H22N2O7

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.824
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 121
Number of rings: 5

     

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