COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055928
Chemical Name: (5E)-5-{1-[(1-benzylpiperidinium-4-yl)amino]ethylidene}-1-(4-chlorophenyl)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C(\NC2CC[NH+](CC2)Cc2ccccc2)/C)/C1=O)[O-]

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Molecular Weight: 452.94
Empirical Formula: C24H25ClN4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.39
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 89
Number of rings: 4

     

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