General Information of the Compound
Compound ID
CP0269262
Compound Name
6-{3-[1-(2-Dimethylamino-ethyl)-1H-benzimidazole-5-carbonyl]-ureido}-hexanoic acidhydroxyamide
    Show/Hide
Structure
Formula
C19H28N6O4
Molecular Weight
404.471
Canonical SMILES
CN(C)CCn1cnc2cc(ccc12)C(=O)NC(=O)NCCCCCC(=O)NO
    Show/Hide
InChI
InChI=1S/C19H28N6O4/c1-24(2)10-11-25-13-21-15-12-14(7-8-16(15)25)18(27)22-19(28)20-9-5-3-4-6-17(26)23-29/h7-8,12-13,29H,3-6,9-11H2,1-2H3,(H,23,26)(H2,20,22,27,28)
    Show/Hide
InChIKey
UAMXADVNCGYCQX-UHFFFAOYSA-N
Physicochemical Property
logP
1.1031
Rotatable Bonds
10
Heavy Atom Count
29
Polar Areas
128.59
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 46890066
ChEMBL ID
CHEMBL1085116
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
CL000163 COLO 205 Homo sapiens (Human)  1
1
IC50 = 19500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 49 nM