COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK626260
Chemical Name: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1cccnc1)/c1ccc2c(c1)OCCO2

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Molecular Weight: 473.44
Empirical Formula: C25H19N3O7

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.882
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 134
Number of rings: 5

     

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