COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL004044
Chemical Name: 5-{[6-hydroxy-1-(3-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](4-methoxy-3-{[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl}phenyl)methyl}-3-(3-methylphenyl)-6-oxo-2-thioxo-1,2,3,6-
Smiles: COc1ccc(cc1C[NH+]1CCN(CC1)c1ccccc1OC)C(c1c(=O)[nH]c(=S)n(c1O)c1cccc(c1)C)c1c(=O)[nH]c(=S)n(c1[O-])c1cccc(c1)C

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Molecular Weight: 790.96
Empirical Formula: C42H42N6O6S2

Available Amount: 0 mg

Lipinsky:
logP: 6.385
Rotatable bonds: 8
H-donors: 4
H-acceptors: 6
PSA: 198
Number of rings: 7

     

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