COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056788
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(4-hydroxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Oc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

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Molecular Weight: 461.47
Empirical Formula: C25H23N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.175
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 118
Number of rings: 5

     

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