COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048308
Chemical Name: (5E)-5-[1-(azepanium-1-ylamino)ethylidene]-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C=CCN1C(=O)N=C(/C(=C(\N[NH+]2CCCCCC2)/C)/C1=O)[O-]

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Molecular Weight: 306.36
Empirical Formula: C15H22N4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 89
Number of rings: 2

     

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