COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147877
Chemical Name: (E)-(4-methoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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Molecular Weight: 492.57
Empirical Formula: C28H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.7
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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