General Information of the Compound
Compound ID
CP0866597
Compound Name
5-chloro-2-hydroxy-N-(4-nitrophenyl)benzamide
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Structure
Formula
C13H9ClN2O4
Molecular Weight
292.678
Canonical SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O
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InChI
InChI=1S/C13H9ClN2O4/c14-8-1-6-12(17)11(7-8)13(18)15-9-2-4-10(5-3-9)16(19)20/h1-7,17H,(H,15,18)
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InChIKey
HTXGLMUZXAFRII-UHFFFAOYSA-N
Physicochemical Property
logP
3.2061
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
92.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 487721
SID: 85261083
ChEMBL ID
CHEMBL2088010
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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