General Information of the Compound
Compound ID
CP0199948
Compound Name
2-hydroxynaphthalene-1-carboxylic acid
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Structure
Formula
C11H8O3
Molecular Weight
188.182
Canonical SMILES
OC(=O)c1c(O)ccc2ccccc12
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InChI
InChI=1S/C11H8O3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H,(H,13,14)
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InChIKey
UPHOPMSGKZNELG-UHFFFAOYSA-N
CAS
2283-08-1
30440-92-7
Physicochemical Property
logP
2.2436
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 16790
SID: 15171460
ChEMBL ID
CHEMBL2269234
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: PT02289, Serine/threonine-protein kinase/endoribonuclease IRE1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 20000 nM
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   LI
   LO
   TS