General Information of the Compound
Compound ID
CP0467044
Compound Name
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide
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Structure
Formula
C14H12N2O4
Molecular Weight
272.26
Canonical SMILES
Oc1ccc(\C=N\NC(=O)c2ccccc2O)c(O)c1
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InChI
InChI=1S/C14H12N2O4/c17-10-6-5-9(13(19)7-10)8-15-16-14(20)11-3-1-2-4-12(11)18/h1-8,17-19H,(H,16,20)/b15-8+
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InChIKey
IZHWUQGNICKCJL-OVCLIPMQSA-N
Physicochemical Property
logP
1.5673
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
102.15
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
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: 135459120
SID: 14972380
ChEMBL ID
CHEMBL3901355
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: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 231.5 nM
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