COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560157
Chemical Name: (E)-[4-(benzyloxy)-2-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(cc(c1OC)OC)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCc1ccccc1)/[O-]

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Molecular Weight: 616.71
Empirical Formula: C35H40N2O8

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.534
Rotatable bonds: 9
H-donors: 1
H-acceptors: 8
PSA: 111
Number of rings: 5

     

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