COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047146
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 464.56
Empirical Formula: C27H32N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.848
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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