COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568205
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 503.51
Empirical Formula: C27H25N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.889
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 124
Number of rings: 5

     

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