7-benzyl-3-chloro-7-(hydroxy(4-methoxyphenyl)(2-((7S)-1,5,7-trimethyl-2-oxo-3-azabicyclo[3.3.1]nonan-7-yl)benzo[d]oxazol-7-yl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

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/C40H39ClN4O5/c1-36-20-37(2,34(47)43-23-36)22-38(3,21-36)35-44-30-12-8-11-29(31(30)50-35)40(48,25-13-15-27(49-4)16-14-25)39(18-24-9-6-5-7-10-24)32-28(33(46)45-39)17-26(41)19-42-32/h5-17,19,48H,18,20-23H2,1-4H3,(H,43,47)(H,45,46), and canonical SMILES descriptor[cheminf_000007]: COc1ccc(cc1)C(C1(Cc2ccccc2)NC(=O)c2c1ncc(c2)Cl)(c1cccc2c1oc(n2)C1(C)CC2(C)CNC(=O)C(C1)(C2)C)O, 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-62068

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:0002136 | chiral stationary phase high-performance liquid chromatography (CSP HPLC)

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