COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042027
Chemical Name: (E)-{2-(4-hydroxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)CCCn1c[nH+]cc1)/[O-]

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Molecular Weight: 459.5
Empirical Formula: C26H25N3O5

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 2.863
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 5

     

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