General Information of the Compound
Compound ID
CP0311798
Compound Name
N-hydroxy-4-[(1,2,3-trimethoxyacridin-9-yl)amino]benzamide
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Formula
C23H21N3O5
Molecular Weight
419.437
Canonical SMILES
COc1cc2nc3ccccc3c(Nc3ccc(cc3)C(=O)NO)c2c(OC)c1OC
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InChI
InChI=1S/C23H21N3O5/c1-29-18-12-17-19(22(31-3)21(18)30-2)20(15-6-4-5-7-16(15)25-17)24-14-10-8-13(9-11-14)23(27)26-28/h4-12,28H,1-3H3,(H,24,25)(H,26,27)
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InChIKey
RXYDUXPNMOBQTR-UHFFFAOYSA-N
Physicochemical Property
logP
4.2764
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
101.94
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
31

"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
CHEMBL4753795
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 = 640 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 = 4230 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 = 160 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 = 4570 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 = 4950 nM
   TI
   LI
   LO
   TS