COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038762
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: CC(Oc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)C

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Molecular Weight: 459.55
Empirical Formula: C27H29N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.41
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 4

     

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