COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053132
Chemical Name: (5E)-5-{1-[(1-benzylpiperidinium-4-yl)amino]ethylidene}-4,6-dioxo-1-(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-olate
Smiles: C=CCN1C(=NC(=O)/C(=C(\NC2CC[NH+](CC2)Cc2ccccc2)/C)/C1=O)[O-]

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Molecular Weight: 382.46
Empirical Formula: C21H26N4O3

Physical State: Dry powder
Available Amount: 224 mg

Lipinsky:
logP: 1.909
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 89
Number of rings: 3

     

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