General Information of the Compound
Compound ID
CP0903578
Compound Name
(N'1E,N'2E)-N'1,N'2-bis(3,4-dihydroxybenzylidene)oxalohydrazide
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Structure
Formula
C16H14N4O6
Molecular Weight
358.31
Canonical SMILES
O=C(N/N=C/c1ccc(O)c(O)c1)C(=O)N/N=C/c1ccc(O)c(O)c1
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InChI
InChI=1S/C16H14N4O6/c21-11-3-1-9(5-13(11)23)7-17-19-15(25)16(26)20-18-8-10-2-4-12(22)14(24)6-10/h1-8,21-24H,(H,19,25)(H,20,26)/b17-7+,18-8+
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InChIKey
CTBVOYDARNWFLQ-ZEELXFFVSA-N
Physicochemical Property
logP
0.1094
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
163.84
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
8
Complexity
26

"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: 135607310
ChEMBL ID
CHEMBL1243096
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: PT05074, NADPH oxidase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1160 nM
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