COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043994
Chemical Name: (E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)C(C)C

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Molecular Weight: 448.56
Empirical Formula: C27H32N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.373
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 4

     

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