COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559536
Chemical Name: (E)-{2-(3-chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Smiles: Clc1cccc(c1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccncc1)/[O-]

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Molecular Weight: 441.91
Empirical Formula: C23H24ClN3O4

Physical State: Dry powder
Available Amount: 276 mg

Lipinsky:
logP: 2.137
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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