General Information of the Compound
Compound ID
CP0472844
Compound Name
N-hydroxy-4-[(4-oxo-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12-yl)methyl]benzamide
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Structure
Formula
C23H23N3O3
Molecular Weight
389.455
Canonical SMILES
ONC(=O)c1ccc(Cn2c3C4CCCC(=O)N4CCc3c3ccccc23)cc1
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InChI
InChI=1S/C23H23N3O3/c27-21-7-3-6-20-22-18(12-13-25(20)21)17-4-1-2-5-19(17)26(22)14-15-8-10-16(11-9-15)23(28)24-29/h1-2,4-5,8-11,20,29H,3,6-7,12-14H2,(H,24,28)
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InChIKey
AMHMTADRKQMPBW-UHFFFAOYSA-N
Physicochemical Property
logP
3.4183
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
74.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 118868599
ChEMBL ID
CHEMBL4062461
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 30.2 nM
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