COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054366
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

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Molecular Weight: 558.63
Empirical Formula: C32H34N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.362
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 111
Number of rings: 5

     

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