COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047622
Chemical Name: (E)-{2-(2,3-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Smiles: COc1c(OC)cccc1C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC)/[O-]

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Molecular Weight: 496.56
Empirical Formula: C27H32N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.052
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 4

     

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