COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046961
Chemical Name: (E)-(4-chlorophenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Smiles: Clc1ccc(cc1)/C(=C\1/C(c2cccnc2)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 441.91
Empirical Formula: C23H24ClN3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.066
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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