General Information of the Compound
Compound ID
CP0383264
Compound Name
(E)-N-hydroxy-N-methyl-3-naphthalen-2-yl-2-phenylprop-2-enamide
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Structure
Formula
C20H17NO2
Molecular Weight
303.361
Canonical SMILES
CN(O)C(=O)C(=C\c1ccc2ccccc2c1)\c1ccccc1
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InChI
InChI=1S/C20H17NO2/c1-21(23)20(22)19(17-8-3-2-4-9-17)14-15-11-12-16-7-5-6-10-18(16)13-15/h2-14,23H,1H3/b19-14+
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InChIKey
UYZDHOARIGTLJD-XMHGGMMESA-N
Physicochemical Property
logP
4.228
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 44369642
ChEMBL ID
CHEMBL351785
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 = 500 nM
   TI
   LI
   LO
   TS
2
IC50 = 510 nM
   TI
   LI
   LO
   TS