COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565293
Chemical Name: (5S)-3-(3-bromo-4-hydroxy-5-methoxybenzyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1cc(CN2C[C@H]3CC(C2)c2n(C3)c(=O)ccc2)cc(c1O)Br

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Saltdata: HCl
Molecular Weight: 405.29
Empirical Formula: C19H21BrN2O3

Physical State: Liquid
Available Amount: 97 mg

Lipinsky:
logP: 1.982
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 4

     

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