General Information of the Compound
Compound ID
CP0505890
Compound Name
6-Heptyloxy-naphthalene-2-carboxylic acid hydroxyamide
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Structure
Formula
C18H23NO3
Molecular Weight
301.386
Canonical SMILES
CCCCCCCOc1ccc2cc(ccc2c1)C(=O)NO
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InChI
InChI=1S/C18H23NO3/c1-2-3-4-5-6-11-22-17-10-9-14-12-16(18(20)19-21)8-7-15(14)13-17/h7-10,12-13,21H,2-6,11H2,1H3,(H,19,20)
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InChIKey
DXZUUTOHWHBJMB-UHFFFAOYSA-N
Physicochemical Property
logP
4.308
Rotatable Bonds
8
Heavy Atom Count
22
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 13672350
ChEMBL ID
CHEMBL155236
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  2
1
IC50 = 6500 nM
   TI
   LI
   LO
   TS
2
IC50 = 7100 nM
   TI
   LI
   LO
   TS