COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053316
Chemical Name: (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-({[3-(morpholin-4-ium-4-yl)propyl]amino}methylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: COc1cc(CCN2C(=O)N=C(/C(=C/NCCC[NH+]3CCOCC3)/C2=O)[O-])ccc1OC

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Molecular Weight: 446.5
Empirical Formula: C22H30N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.372
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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