COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041688
Chemical Name: (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[(4-methylpiperazin-4-ium-1-yl)amino]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: COc1cc(CCN2C(=O)N=C(/C(=C\NN3CC[NH+](CC3)C)/C2=O)[O-])ccc1OC

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Molecular Weight: 417.47
Empirical Formula: C20H27N5O5

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: -0.166
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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