COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051569
Chemical Name: (5Z)-5-[4-(diethylammonio)benzylidene]-1-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: OCCN(c1ccc(cc1)N1C(=O)N=C(/C(=C/c2ccc(cc2)[NH+](CC)CC)/C1=O)[O-])CC

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Molecular Weight: 450.54
Empirical Formula: C25H30N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.115
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 100
Number of rings: 3

     

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