COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK597904
Chemical Name: (E)-{2-(3,4-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate
Smiles: COc1cc(ccc1OC)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)F)OC(C)C)/[O-]

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Molecular Weight: 542.6
Empirical Formula: C29H35FN2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.669
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 4

     

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