General Information of the Compound
Compound ID
CP0528390
Compound Name
3-(acridin-9-ylamino)-N-hydroxybenzamide
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Formula
C20H15N3O2
Molecular Weight
329.359
Canonical SMILES
ONC(=O)c1cccc(Nc2c3ccccc3nc3ccccc23)c1
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InChI
InChI=1S/C20H15N3O2/c24-20(23-25)13-6-5-7-14(12-13)21-19-15-8-1-3-10-17(15)22-18-11-4-2-9-16(18)19/h1-12,25H,(H,21,22)(H,23,24)
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InChIKey
IGGDIHCMNIOYJN-UHFFFAOYSA-N
Physicochemical Property
logP
4.2506
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
74.25
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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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ChEMBL ID
CHEMBL4753828
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: 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 = 20760 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 = 4690 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 = 16840 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 = 12180 nM
   TI
   LI
   LO
   TS