COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589148
Chemical Name: (1Z,2E)-1-{2-(4-hydroxy-3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: COc1cc(ccc1O)C1/C(=C(\C=C\c2ccccc2)/[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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Molecular Weight: 478.55
Empirical Formula: C27H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.811
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 4

     

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