COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK584432
Chemical Name: (E)-{2-(2,5-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccc(c(c2)F)OC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)OC

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Molecular Weight: 542.6
Empirical Formula: C29H35FN2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.813
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 4

     

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