COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559921
Chemical Name: (E)-{2-[3-(3-methylbutoxy)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)C

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Molecular Weight: 548.68
Empirical Formula: C32H40N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.334
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 5

     

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