COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040306
Chemical Name: (E)-{2-(3-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)F)CC[NH+]1CCOCC1)/[O-])C

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Molecular Weight: 485.51
Empirical Formula: C25H28FN3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.85
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 116
Number of rings: 4

     

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