COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043459
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)OC

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Molecular Weight: 505.53
Empirical Formula: C27H27N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.792
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 116
Number of rings: 5

     

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