COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051018
Chemical Name: (5E)-5-{1-[(1-benzylpiperidinium-4-yl)amino]ethylidene}-2,6-dioxo-1-phenyl-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)[O-])/NC1CC[NH+](CC1)Cc1ccccc1

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Molecular Weight: 418.5
Empirical Formula: C24H26N4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.795
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 89
Number of rings: 4

     

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