General Information of the Compound
Compound ID
CP0386815
Compound Name
N-hydroxy-4-[(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methyl]benzamide
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Structure
Formula
C21H25N3O2
Molecular Weight
351.45
Canonical SMILES
CN1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
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InChI
InChI=1S/C21H25N3O2/c1-23-12-10-21(11-13-23)15-24(19-5-3-2-4-18(19)21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25)
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InChIKey
ULHYNLKHNCSKKB-UHFFFAOYSA-N
Physicochemical Property
logP
2.7892
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
55.81
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 145992050
ChEMBL ID
CHEMBL4287273
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 11710 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 = 203.8 nM
   TI
   LI
   LO
   TS