COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046221
Chemical Name: (E)-{2-(3-chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3,4-dimethoxyphenyl)methanolate
Smiles: COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)CCC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 500.98
Empirical Formula: C26H29ClN2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.456
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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