General Information of the Compound
Compound ID
CP0493589
Compound Name
N'-(3-aminophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxamide
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Structure
Formula
C17H19N3O4
Molecular Weight
329.356
Canonical SMILES
COc1cc(CCNC(=O)C(=O)Nc2cccc(N)c2)ccc1O
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InChI
InChI=1S/C17H19N3O4/c1-24-15-9-11(5-6-14(15)21)7-8-19-16(22)17(23)20-13-4-2-3-12(18)10-13/h2-6,9-10,21H,7-8,18H2,1H3,(H,19,22)(H,20,23)
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InChIKey
FYTPNKUHLNVXMV-UHFFFAOYSA-N
Physicochemical Property
logP
1.2804
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
113.68
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 52949325
ChEMBL ID
CHEMBL1243188
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 = 1300 nM
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