General Information of the Compound
Compound ID
CP0571713
Compound Name
4-(6-chloro-3,4-dihydro-2H-quinoline-1-carbonyl)-N-hydroxybenzamide
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Formula
C17H15ClN2O3
Molecular Weight
330.771
Canonical SMILES
ONC(=O)c1ccc(cc1)C(=O)N1CCCc2cc(Cl)ccc12
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InChI
InChI=1S/C17H15ClN2O3/c18-14-7-8-15-13(10-14)2-1-9-20(15)17(22)12-5-3-11(4-6-12)16(21)19-23/h3-8,10,23H,1-2,9H2,(H,19,21)
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InChIKey
MSMNNUIAFKAWCZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.052
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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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ChEMBL ID
CHEMBL4846892
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 961 nM
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   LI
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Protein ID: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 10500 nM
   TI
   LI
   LO
   TS