General Information of the Compound
Compound ID
CP0344801
Compound Name
N-hydroxy-4-[(2-phenylmethoxyacridin-9-yl)amino]benzamide
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Formula
C27H21N3O3
Molecular Weight
435.483
Canonical SMILES
ONC(=O)c1ccc(Nc2c3ccccc3nc3ccc(OCc4ccccc4)cc23)cc1
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InChI
InChI=1S/C27H21N3O3/c31-27(30-32)19-10-12-20(13-11-19)28-26-22-8-4-5-9-24(22)29-25-15-14-21(16-23(25)26)33-17-18-6-2-1-3-7-18/h1-16,32H,17H2,(H,28,29)(H,30,31)
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InChIKey
QJZZSSBITISGGT-UHFFFAOYSA-N
Physicochemical Property
logP
5.8296
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
83.48
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
33

"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
CHEMBL4761847
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 = 2640 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 = 430 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 = 220 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 = 3100 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 = 1250 nM
   TI
   LI
   LO
   TS