COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041327
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}methanolate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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Molecular Weight: 486.48
Empirical Formula: C27H22N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.13
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 119
Number of rings: 5

     

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