COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148148
Chemical Name: 3-butyl-5-[(1-butyl-6-hydroxy-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl)(4-methoxy-3-{[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl}phenyl)methyl]-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate
Smiles: CCCCn1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)CCCC)S)c1ccc(c(c1)C[NH+]1CCN(CC1)c1ccccc1OC)OC

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Molecular Weight: 722.93
Empirical Formula: C36H46N6O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.039
Rotatable bonds: 16
H-donors: 2
H-acceptors: 6
PSA: 212
Number of rings: 5

     

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