COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148715
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Smiles: C=CCOc1ccc(cc1)C1/C(=C(/c2ccncc2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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Molecular Weight: 421.5
Empirical Formula: C24H27N3O4

Physical State: Dry powder
Available Amount: 280 mg

Lipinsky:
logP: 2.656
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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