General Information of the Compound
Compound ID
CP0525426
Compound Name
5-chloro-2-hydroxy-N-(3-nitrophenyl)benzamide
    Show/Hide
Structure
Formula
C13H9ClN2O4
Molecular Weight
292.678
Canonical SMILES
Oc1ccc(Cl)cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
    Show/Hide
InChI
InChI=1S/C13H9ClN2O4/c14-8-4-5-12(17)11(6-8)13(18)15-9-2-1-3-10(7-9)16(19)20/h1-7,17H,(H,15,18)
    Show/Hide
InChIKey
HWOQTZOIQGGWGF-UHFFFAOYSA-N
Physicochemical Property
logP
3.2061
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
92.47
Hydrogen Bond Donor Count
2
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: 487720
ChEMBL ID
CHEMBL2088009
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: PT04758, P2X purinoceptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 = 172 nM
   TI
   LI
   LO
   TS