COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047052
Chemical Name: (E)-(4-methoxy-2-methylphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 436.51
Empirical Formula: C25H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.315
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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