General Information of the Compound
Compound ID
CP0569861
Compound Name
(2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol
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Structure
Formula
C14H19N3O
Molecular Weight
245.326
Canonical SMILES
CC(C)(C)c1ccc2ncc(nc2c1)[C@@H](N)CO
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InChI
InChI=1S/C14H19N3O/c1-14(2,3)9-4-5-11-12(6-9)17-13(7-16-11)10(15)8-18/h4-7,10,18H,8,15H2,1-3H3/t10-/m0/s1
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InChIKey
HHROFROLSNSXDJ-JTQLQIEISA-N
Physicochemical Property
logP
1.9194
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
72.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
18

"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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PubChem ID
CID: 155515503
ChEMBL ID
CHEMBL4442118
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: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS