General Information of the Compound
Compound ID
CP0970032
Compound Name
(1R,3r,5S)-8-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-(pyridin-2-yloxy)-8-azabicyclo[3.2.1]octane
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Formula
C17H22N4O3S
Molecular Weight
362.455
Canonical SMILES
Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccccn1)C2
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InChI
InChI=1S/C17H22N4O3S/c1-11-17(12(2)20-19-11)25(22,23)21-13-6-7-14(21)10-15(9-13)24-16-5-3-4-8-18-16/h3-5,8,13-15H,6-7,9-10H2,1-2H3,(H,19,20)/t13-,14+,15+
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InChIKey
DFESHMIQGBUFKD-FICVDOATSA-N
Physicochemical Property
logP
2.18464
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
88.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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ChEMBL ID
CHEMBL4861841
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02713, N-acylethanolamine-hydrolyzing acid amidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 162 nM
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