COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553195
Chemical Name: (1S,5S)-3-[3-(benzyloxy)-2-hydroxypropyl]-8-oxo-1,3,4,5,6,8-hexahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium
Smiles: OC(C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COCc1ccccc1

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Saltdata: Cl-
Molecular Weight: 355.46
Empirical Formula: C21H27N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.642
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 54
Number of rings: 4

     

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