COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560436
Chemical Name: (E)-(5-methyl-1-phenyl-1H-pyrazol-4-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1cccnc1

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Molecular Weight: 487.56
Empirical Formula: C27H29N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.899
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 104
Number of rings: 5

     

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