General Information of the Compound
Compound ID
CP0429768
Compound Name
2-(3,5-dichlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
    Show/Hide
Structure
Formula
C16H10Cl2N4O2S
Molecular Weight
393.255
Canonical SMILES
Clc1cc(Cl)cc(c1)-c1nc(cs1)C(=O)NNC(=O)c1ccccn1
    Show/Hide
InChI
InChI=1S/C16H10Cl2N4O2S/c17-10-5-9(6-11(18)7-10)16-20-13(8-25-16)15(24)22-21-14(23)12-3-1-2-4-19-12/h1-8H,(H,21,23)(H,22,24)
    Show/Hide
InChIKey
CFFUHLHLLJKCAP-UHFFFAOYSA-N
Physicochemical Property
logP
3.5867
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
83.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 145975659
ChEMBL ID
CHEMBL4206455
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: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 440 nM
   TI
   LI
   LO
   TS