COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562769
Chemical Name: 5-{[6-hydroxy-1-(3-methylphenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl](4-methoxy-3-{[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl}phenyl)methyl}-3-(3-methylphenyl)-6-oxo-2-sulfanyl-3,6-dihydro
Smiles: COc1ccc(cc1C[NH+]1CCN(CC1)c1ccccc1OC)C(c1c(=O)nc(n(c1O)c1cccc(c1)C)S)c1c(=O)nc(n(c1[O-])c1cccc(c1)C)S

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Molecular Weight: 790.96
Empirical Formula: C42H42N6O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.275
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 212
Number of rings: 7

     

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