COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040670
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(5-methylfuran-2-yl)-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(o1)C)CCCn1c[nH+]cc1)/[O-]

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Molecular Weight: 447.49
Empirical Formula: C25H25N3O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.221
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 5

     

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