COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041757
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCCn1cc[nH+]c1)/c1ccc2c(c1)OCCO2

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Molecular Weight: 537.57
Empirical Formula: C31H27N3O6

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.903
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 6

     

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