COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561096
Chemical Name: 5-[{3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}(4-hydroxy-6-oxo-1-phenyl-2-sulfanyl-1,6-dihydropyrimidin-5-yl)methyl]-6-hydroxy-4-oxo-1-phenyl-1,4-dihydropyrimidine-2-thiolate
Smiles: COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(O)nc(n(c1=O)c1ccccc1)S)c1c(=O)nc(n(c1O)c1ccccc1)[S-]

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Molecular Weight: 683.85
Empirical Formula: C36H37N5O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.827
Rotatable bonds: 9
H-donors: 3
H-acceptors: 5
PSA: 158
Number of rings: 6

     

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