General Information of the Compound
Compound ID
CP0479704
Compound Name
N-(3-bromophenyl)-2-hydroxybenzamide
    Show/Hide
Structure
Formula
C13H10BrNO2
Molecular Weight
292.132
Canonical SMILES
Oc1ccccc1C(=O)Nc1cccc(Br)c1
    Show/Hide
InChI
InChI=1S/C13H10BrNO2/c14-9-4-3-5-10(8-9)15-13(17)11-6-1-2-7-12(11)16/h1-8,16H,(H,15,17)
    Show/Hide
InChIKey
UPKONWBISAFFKB-UHFFFAOYSA-N
Physicochemical Property
logP
3.407
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 9926061
SID: 14898035
ChEMBL ID
CHEMBL4641171
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 = 2690 nM
   TI
   LI
   LO
   TS