COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047399
Chemical Name: 5-([4,6-dihydroxy-1-(2-methylphenyl)-2-thioxo-1,2-dihydropyrimidin-5-yl]{3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}methyl)-6-hydroxy-1-(2-methylphenyl)-4-oxo-1,4-dihydropyrimidine-2-th
Smiles: COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(O)nc(=S)n(c1O)c1ccccc1C)c1c(=O)nc(n(c1O)c1ccccc1C)[S-]

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Molecular Weight: 711.91
Empirical Formula: C38H41N5O5S2

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 7.312
Rotatable bonds: 9
H-donors: 4
H-acceptors: 5
PSA: 154
Number of rings: 6

     

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