General Information of the Compound
Compound ID
CP0348866
Compound Name
N-hydroxy-4-(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)benzamide
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Structure
Formula
C20H20N2O2
Molecular Weight
320.392
Canonical SMILES
ONC(=O)c1ccc(Cn2c3CCCCc3c3ccccc23)cc1
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InChI
InChI=1S/C20H20N2O2/c23-20(21-24)15-11-9-14(10-12-15)13-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1,3,5,7,9-12,24H,2,4,6,8,13H2,(H,21,23)
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InChIKey
VDTITZXGIABRLG-UHFFFAOYSA-N
Physicochemical Property
logP
3.6874
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
54.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 88981186
ChEMBL ID
CHEMBL4475240
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 = 2511.89 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1000 nM