COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567807
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-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(C1c1cccnc1)CCCn1c[nH+]cc1)/[O-]

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Molecular Weight: 444.49
Empirical Formula: C25H24N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.107
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 101
Number of rings: 5

     

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