General Information of the Compound
Compound ID
CP0410779
Compound Name
5-chloro-N-(3,5-dichlorophenyl)-2-hydroxybenzamide
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Structure
Formula
C13H8Cl3NO2
Molecular Weight
316.571
Canonical SMILES
Oc1ccc(Cl)cc1C(=O)Nc1cc(Cl)cc(Cl)c1
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InChI
InChI=1S/C13H8Cl3NO2/c14-7-1-2-12(18)11(6-7)13(19)17-10-4-8(15)3-9(16)5-10/h1-6,18H,(H,17,19)
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InChIKey
FJIIZNKTKISOBM-UHFFFAOYSA-N
Physicochemical Property
logP
4.6047
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 2804666
SID: 163554941
ChEMBL ID
CHEMBL2179173
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)  4
1
IC50 = 29.3 nM
   TI
   LI
   LO
   TS
2
IC50 = 3030 nM
   TI
   LI
   LO
   TS
3
IC50 > 10000 nM
   TI
   LI
   LO
   TS
4
IC50 > 20000 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 = 712 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 = 70.4 nM
   TI
   LI
   LO
   TS