COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039408
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-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 503.55
Empirical Formula: C28H29N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.889
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 5

     

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