COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563662
Chemical Name: (E)-{2-[4-(methoxycarbonyl)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)CCC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 494.54
Empirical Formula: C27H30N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.987
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 109
Number of rings: 4

     

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