COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039113
Chemical Name: (E)-{2-(4-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: Clc1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[O-]

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Molecular Weight: 506.99
Empirical Formula: C27H27ClN4O4

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 3.862
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 5

     

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