COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561043
Chemical Name: (E)-{2-[4-(methoxycarbonyl)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: COC(=O)c1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[O-]

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Molecular Weight: 530.58
Empirical Formula: C29H30N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.245
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 118
Number of rings: 5

     

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