General Information of the Compound
Compound ID
CP0565371
Compound Name
5-chloro-N-(3,5-dihydroxyphenyl)-2-hydroxybenzamide
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Structure
Formula
C13H10ClNO4
Molecular Weight
279.679
Canonical SMILES
Oc1cc(O)cc(NC(=O)c2cc(Cl)ccc2O)c1
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InChI
InChI=1S/C13H10ClNO4/c14-7-1-2-12(18)11(3-7)13(19)15-8-4-9(16)6-10(17)5-8/h1-6,16-18H,(H,15,19)
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InChIKey
WUDULICAOFQPCJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7091
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
89.79
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
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: 156017718
ChEMBL ID
CHEMBL4644100
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 > 10000 nM
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