COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047372
Chemical Name: (E)-{4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-2-yl)pyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)c1cccc[nH+]1)/[O-]

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Molecular Weight: 454.53
Empirical Formula: C28H26N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.406
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 4

     

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