General Information of the Compound
Compound ID
CP0479702
Compound Name
5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide
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Structure
Formula
C15H14ClNO2
Molecular Weight
275.735
Canonical SMILES
Cc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1
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InChI
InChI=1S/C15H14ClNO2/c1-9-5-10(2)7-12(6-9)17-15(19)13-8-11(16)3-4-14(13)18/h3-8,18H,1-2H3,(H,17,19)
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InChIKey
SDLCCJUNEBAOGY-UHFFFAOYSA-N
Physicochemical Property
logP
3.91474
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: 29541449
SID: 163496556
ChEMBL ID
CHEMBL2178702
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 = 323 nM
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