COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553161
Chemical Name: (1R,5S)-3-{3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-hydroxypropyl}-8-oxo-1,3,4,5,6,8-hexahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium
Smiles: CCC(c1cc(ccc1OCC(C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O)C(CC)(C)C)(C)C

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Saltdata: Cl-
Molecular Weight: 481.7
Empirical Formula: C30H45N2O3

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.668
Rotatable bonds: 10
H-donors: 2
H-acceptors: 3
PSA: 54
Number of rings: 4

     

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