General Information of the Compound
Compound ID
CP0564220
Compound Name
N-hydroxy-4-[[2-(trifluoromethoxy)acridin-9-yl]amino]benzamide
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Formula
C21H14F3N3O3
Molecular Weight
413.355
Canonical SMILES
ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(OC(F)(F)F)cc23)cc1
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InChI
InChI=1S/C21H14F3N3O3/c22-21(23,24)30-14-9-10-18-16(11-14)19(15-3-1-2-4-17(15)26-18)25-13-7-5-12(6-8-13)20(28)27-29/h1-11,29H,(H,25,26)(H,27,28)
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InChIKey
DWYXNGVQEJZWQA-UHFFFAOYSA-N
Physicochemical Property
logP
5.1492
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
83.48
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
30

"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
CHEMBL4751082
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: PT00820, Acetylcholinesterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3650 nM
   TI
   LI
   LO
   TS
Protein ID: PT00996, Histone deacetylase 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 15830 nM
   TI
   LI
   LO
   TS
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 = 29 nM
   TI
   LI
   LO
   TS
Protein ID: PT01807, Histone deacetylase 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 17880 nM
   TI
   LI
   LO
   TS
Protein ID: PT01946, Histone deacetylase 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 31100 nM
   TI
   LI
   LO
   TS