COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563253
Chemical Name: (E)-{2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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Molecular Weight: 556.66
Empirical Formula: C33H36N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.051
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 5

     

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