COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528368
Chemical Name: 4-hydroxy-5-{[6-hydroxy-3-(2-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](4-methoxy-3-{[(1R,5R)-8-oxo-1,3,5,6,8-pentahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium-3(4H)-yl]met
Smiles: COc1ccc(cc1C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C(c1c(O)[nH]c(=S)n(c1=O)c1ccccc1C)c1c(O)nc(n(c1=O)c1ccccc1C)[S-]

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Molecular Weight: 788.95
Empirical Formula: C42H40N6O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.42
Rotatable bonds: 8
H-donors: 4
H-acceptors: 6
PSA: 171
Number of rings: 8

     

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