COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK530544
Chemical Name: 5-[(6-hydroxy-1,3-dimethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl]-1,3-dimethyl-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidi
Smiles: COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)n(C)c(=S)n(c1=O)C)c1c([O-])n(C)c(=S)n(c1=O)C

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Molecular Weight: 636.8
Empirical Formula: C31H36N6O5S2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 0.865
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 181
Number of rings: 5

     

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