COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040012
Chemical Name: (E)-{4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CC(c1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)C

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Molecular Weight: 412.49
Empirical Formula: C26H24N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.736
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 74
Number of rings: 4

     

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