General Information of the Compound
Compound ID
CP0111689
Compound Name
(E)-N-hydroxy-3-[6-(4-methoxyphenoxy)quinolin-2-yl]prop-2-enamide
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Structure
Formula
C19H16N2O4
Molecular Weight
336.347
Canonical SMILES
COc1ccc(Oc2ccc3nc(\C=C\C(=O)NO)ccc3c2)cc1
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InChI
InChI=1S/C19H16N2O4/c1-24-15-5-7-16(8-6-15)25-17-9-10-18-13(12-17)2-3-14(20-18)4-11-19(22)21-23/h2-12,23H,1H3,(H,21,22)/b11-4+
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InChIKey
VIDKIEAXAKFSHN-NYYWCZLTSA-N
Physicochemical Property
logP
3.5543
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
80.68
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 156010570
ChEMBL ID
CHEMBL4632668
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
GI50 = 1820 nM
   TI
   LI
   LO
   TS