General Information of the Compound
Compound ID
CP0244186
Compound Name
N-hydroxy-4-[[3-(2-methoxyethyl)indol-1-yl]methyl]benzamide
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Structure
Formula
C19H20N2O3
Molecular Weight
324.38
Canonical SMILES
COCCc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
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InChI
InChI=1S/C19H20N2O3/c1-24-11-10-16-13-21(18-5-3-2-4-17(16)18)12-14-6-8-15(9-7-14)19(22)20-23/h2-9,13,23H,10-12H2,1H3,(H,20,22)
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InChIKey
QOOQDKFEHZLJPF-UHFFFAOYSA-N
Physicochemical Property
logP
2.9975
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
63.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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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PubChem ID
CID: 155518334
ChEMBL ID
CHEMBL4445881
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: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 63.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01443, Polyamine deacetylase HDAC10
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 199.53 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 125.89 nM