General Information of the Compound
Compound ID
CP0097403
Compound Name
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
    Show/Hide
Structure
Formula
C16H25N3O3
Molecular Weight
307.394
Canonical SMILES
CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
    Show/Hide
InChI
InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
    Show/Hide
InChIKey
MXWDSZWTBOCWBK-UHFFFAOYSA-N
Physicochemical Property
logP
1.9383
Rotatable Bonds
9
Heavy Atom Count
22
Polar Areas
81.67
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 3994
SID: 14776429
ChEMBL ID
CHEMBL140000
DrugBank ID
DB02565
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 2960 nM
   TI
   LI
   LO
   TS
Protein ID: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 750 nM
   TI
   LI
   LO
   TS