General Information of the Compound
Compound ID
CP0280111
Compound Name
1-amino-3-naphthalen-1-yloxypropan-2-ol
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Structure
Formula
C13H15NO2
Molecular Weight
217.268
Canonical SMILES
NCC(O)COc1cccc2ccccc12
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InChI
InChI=1S/C13H15NO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9,14H2
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InChIKey
ZFMCITCRZXLMDJ-UHFFFAOYSA-N
CAS
20862-11-7
Physicochemical Property
logP
1.5382
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
55.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 159899
SID: 15266869
ChEMBL ID
CHEMBL31888
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: PT05586, Nuclear receptor subfamily 2 group E member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  2
1
EC50 = 19400 nM
   TI
   LI
   LO
   TS
2
EC50 = 43000 nM
   TI
   LI
   LO
   TS