General Information of the Compound
Compound ID
CP0398919
Compound Name
1,4-Dihydroxynaphthalene
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Synonyms
1,4-Dihydroxy-naphthalene
1,4-Dihydroxynaphthalene
1,4-NAPHTHALENEDIOL
1,4-Naphthalene diol
1,4-Naphthohydroquinone
1,4-Naphthoquinol
1,4-Naphththalenediol
1-Hydroxy-4-naphthol
571-60-8
AC1L1X2M
ACMC-1AXHC
AML1P6T42C
BRN 1307689
CCRIS 7897
CHEBI:34063
CHEMBL206816
EINECS 209-336-4
Hydronaphthoquinone
Naphthalene-1,4-dio
Naphthalene-1,4-diol
Naphthalenediol-(1,4)
Naphthohydroquinone
PCILLCXFKWDRMK-UHFFFAOYSA-N
UNII-AML1P6T42C
alpha-Naphthohydroquinone
alpha-Naphthoquinhydrone
napthalene- 1,4-diol
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Structure
Formula
C10H8O2
Molecular Weight
160.172
Canonical SMILES
Oc1ccc(O)c2ccccc12
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InChI
InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
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InChIKey
PCILLCXFKWDRMK-UHFFFAOYSA-N
CAS
571-60-8
Physicochemical Property
logP
2.251
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 11305
SID: 14772424
ChEMBL ID
CHEMBL206816
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: PT01557, Indoleamine 2,3-dioxygenase 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000784 P815B
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT05447, Tryptophan 2,3-dioxygenase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000784 P815B
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Naphthalene-1,4-diol )
Drug Name Naphthalene-1,4-diol
Target(s)
Indoleamine 2,3-dioxygenase 1 (IDO1)
 Target Info 
Inhibitor