COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525380
Chemical Name: 5-[(6-hydroxy-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxy-3-{[(1S)-8-oxo-1,3,5,6,8-pentahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium-3(4H)-yl]methyl}phenyl)methyl]-
Smiles: COc1ccc(cc1C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C(c1c(O)n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)c1c([O-])n(c2ccccc2)c(=S)n(c1=O)c1ccccc1

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Molecular Weight: 913.09
Empirical Formula: C52H44N6O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.084
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 188
Number of rings: 10

     

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