COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546324
Chemical Name: (1S,5R)-3-{[6-({4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl}methyl)-5-hydroxy-4-oxo-4H-pyran-2-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Fc1ccc(cc1)OCCN1CCN(CC1)Cc1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O

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Saltdata: 2 HCl
Molecular Weight: 550.63
Empirical Formula: C30H35FN4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.31
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 85
Number of rings: 6

     

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