Molecule

2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide

AlkaPlorer ID: AK584946

Synonym: None

IUPAC Name: 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide

Structure

SMILES: COC1=CC=CC=C1OCCNC(=O)CC1NC(=O)C2=CC=CC=C2NC1=O

InChI: InChI=1S/C20H21N3O5/c1-27-16-8-4-5-9-17(16)28-11-10-21-18(24)12-15-20(26)22-14-7-3-2-6-13(14)19(25)23-15/h2-9,15H,10-12H2,1H3,(H,21,24)(H,22,26)(H,23,25)

InChIKey: YSHHTMRXYWJZJD-UHFFFAOYSA-N

Reference

Shikonin exerts anti-inflammatory effects in a murine model of lipopolysaccharide-induced acute lung injury by inhibiting the nuclear factor-kappaB signaling pathway

PubChem CID: 75531735

COCONUT: CNP0401952.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 383.40400000000005

TPSA？: 105.76

MolLogP？: 1.3309999999999995

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi