COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564144
Chemical Name: (E)-[4-(benzyloxy)-2-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc(cc2C)OCc2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1cccnc1

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Molecular Weight: 527.62
Empirical Formula: C31H33N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.603
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 5

     

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