General Information of the Compound
Compound ID
CP0573189
Compound Name
2-(1-Methyl-1H-imidazol-2-ylmethyl)-naphthalen-1-ol
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Structure
Formula
C15H14N2O
Molecular Weight
238.29
Canonical SMILES
Cn1ccnc1Cc1ccc2ccccc2c1O
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InChI
InChI=1S/C15H14N2O/c1-17-9-8-16-14(17)10-12-7-6-11-4-2-3-5-13(11)15(12)18/h2-9,18H,10H2,1H3
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InChIKey
QTTUZHMUDCQVGZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.8697
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
38.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 44347933
ChEMBL ID
CHEMBL331788
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)  1
1
IC50 = 3500 nM
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