General Information of the Compound
Compound ID
CP0390874
Compound Name
N'-(4-chlorobenzoyl)-3-hydroxypyridine-2-carbohydrazide
    Show/Hide
Structure
Formula
C13H10ClN3O3
Molecular Weight
291.694
Canonical SMILES
Oc1cccnc1C(=O)NNC(=O)c1ccc(Cl)cc1
    Show/Hide
InChI
InChI=1S/C13H10ClN3O3/c14-9-5-3-8(4-6-9)12(19)16-17-13(20)11-10(18)2-1-7-15-11/h1-7,18H,(H,16,19)(H,17,20)
    Show/Hide
InChIKey
DBMKLEQAAFATQO-UHFFFAOYSA-N
Physicochemical Property
logP
1.5154
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
91.32
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 145967009
ChEMBL ID
CHEMBL4213731
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 = 27800 nM
   TI
   LI
   LO
   TS