7-bromo-2,3-diphenylquinoxalin-6-amine

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C20H14BrN3/c21-15-11-17-18(12-16(15)22)24-20(14-9-5-2-6-10-14)19(23-17)13-7-3-1-4-8-13/h1-12H,22H2, and canonical SMILES descriptor[cheminf_000007]: Nc1cc2nc(c3ccccc3)c(nc2cc1Br)c1ccccc1, and by the IUPAC name[cheminf_000107]: .

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-29309

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

CHMO:0000598 | two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)

CHMO:0000470 | mass spectrometry (MS)

CHMO:0000630 | infrared absorption spectroscopy (IR)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations

本条目为一个物理化学实体（physical chemical entity），其标识符为CHEBI_24431，且关联一个标识符为CHEBI_25367的分子（molecule）。
该标识符为CHEBI_25367的分子可通过以下结构描述符（structural descriptors，cheminf_000085）进行表征：
InChI描述符（InChI descriptor，cheminf_000113）为：InChI=1S/C20H14BrN3/c21-15-11-17-18(12-16(15)22)24-20(14-9-5-2-6-10-14)19(23-17)13-7-3-1-4-8-13/h1-12H,22H2；标准化SMILES描述符（canonical SMILES descriptor，cheminf_000007）为：Nc1cc2nc(c3ccccc3)c(nc2cc1Br)c1ccccc1；其IUPAC命名（IUPAC name，cheminf_000107）为空。
该物理化学实体（CHEBI_24431）包含一种溶剂组分（component solvent，CHEBI_46787），该溶剂可通过标准化SMILES描述符（cheminf_000007）表征：
该物理化学实体（CHEBI_24431）在研究数据仓储chemotion（网址：www.chemotion-repository.net，DOI：https://doi.org/10.25504/FAIRsharing.iagXcR）中登记的样本ID为：CRS-29309。
该物理化学实体（CHEBI_24431）可通过以下物理描述符（physical descriptors，CHEMINF_000025）表征：
熔点描述符（melting point descriptor，CHEMINF_000256）：无相关数据
沸点描述符（boiling point descriptor，CHEMINF_000257）：无相关数据
折射率描述符（refractive index descriptor，CHEMINF_000253）：无相关数据
该物理化学实体（CHEBI_24431）还可通过以下分析测试（assays，OBI:0000070、CHMO:0001133）进行表征：
CHMO:0000593 | 1H核磁共振波谱法（1H NMR）
CHMO:0000595 | 13C核磁共振波谱法（13C NMR）
CHMO:0000598 | 二维核磁共振波谱法（2D NMR）
CHMO:0000470 | 质谱法（MS）
CHMO:0000630 | 红外吸收光谱法（IR）
该物理化学实体（CHEBI_24431）已被存入卡尔斯鲁厄理工学院（Karlsruhe Institute of Technology，KIT）的分子档案库，对应的样本ID为：
所用本体如下：
CHEBI：生物感兴趣化学实体（Chemical Entities of Biological Interest）
CHEMINF：化学信息本体（chemical information ontology，即关于化学实体的信息实体）
CHMO：化学方法本体（Chemical Methods Ontology）
OBI：生物调查本体（Ontology for Biomedical Investigations）