General Information of the Compound
Compound ID
CP0416687
Compound Name
N-hydroxy-5-[3-(pent-4-enoylamino)propyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
    Show/Hide
Structure
Formula
C15H22N4O3S
Molecular Weight
338.433
Canonical SMILES
ONC(=O)c1nc2CCN(CCCNC(=O)CCC=C)Cc2s1
    Show/Hide
InChI
InChI=1S/C15H22N4O3S/c1-2-3-5-13(20)16-7-4-8-19-9-6-11-12(10-19)23-15(17-11)14(21)18-22/h2,22H,1,3-10H2,(H,16,20)(H,18,21)
    Show/Hide
InChIKey
HLGIHLXAJWOAQC-UHFFFAOYSA-N
Physicochemical Property
logP
1.0927
Rotatable Bonds
8
Heavy Atom Count
23
Polar Areas
94.56
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 70690302
ChEMBL ID
CHEMBL2046611
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
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 58670 nM
   TI
   LI
   LO
   TS