COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560602
Chemical Name: (E)-{2-[3-(benzyloxy)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)CC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 554.64
Empirical Formula: C33H34N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.924
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 6

     

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