COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046149
Chemical Name: (E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2cccs2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)C(C)C

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Molecular Weight: 454.59
Empirical Formula: C25H30N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.188
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 4

     

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