General Information of the Compound
Compound ID
CP0472736
Compound Name
5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide
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Structure
Formula
C13H9Cl2NO2
Molecular Weight
282.126
Canonical SMILES
Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
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InChI
InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h1-7,17H,(H,16,18)
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InChIKey
NXDGLRGDIKDWIF-UHFFFAOYSA-N
CAS
22203-98-1
4214-48-6
Physicochemical Property
logP
3.9513
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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).

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PubChem ID
CID: 20196
SID: 85261131
ChEMBL ID
CHEMBL2088011
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 = 75.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT04148, P2X purinoceptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03393, P2X purinoceptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02908, P2X purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 = 135 nM
   TI
   LI
   LO
   TS
Protein ID: PT01449, P2X purinoceptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 = 599 nM
   TI
   LI
   LO
   TS