COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148980
Chemical Name: (E)-{2-[4-(methoxycarbonyl)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)CC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 480.52
Empirical Formula: C26H28N2O7

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.833
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 109
Number of rings: 4

     

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