COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149022
Chemical Name: (E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C\1/C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 492.62
Empirical Formula: C29H36N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.698
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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