Dataset

process

Chemical Info

InChI	InChI=1S/C36H26ClN5/c37-30-21-22-38-33(23-30)36(41-34(28-17-9-3-10-18-28)24-31(39-41)26-13-5-1-6-14-26)42-35(29-19-11-4-12-20-29)25-32(40-42)27-15-7-2-8-16-27/h1-25,36H
SMILES	Clc1ccnc(c1)C(n1nc(cc1c1ccccc1)c1ccccc1)n1nc(cc1c1ccccc1)c1ccccc1
InChI Key	UFNYJPFRGDSKSE-UHFFFAOYSA-N
Molecular Formula	C36H26ClN5
Exact Mass	564.078 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UFNYJPFRGDSKSE-UHFFFAOYSA-N/BFO0000015
License URL
Source	https://www.chemotion-repository.net/inchikey/UFNYJPFRGDSKSE-UHFFFAOYSA-N/BFO0000015
Version
Author	Sonja Herres-Pawlis
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:27:07.056103
MetadataModified	2024-09-07T16:59:32.579268
MetadataPublished	2020-02-27

Field	Value
Measurement Technique	process
Measurement Variables

Data-Source Molecule ID	Data-Source
145944167	PubChem
ESIVEK	CCDC
The data in this table is sourced from UniChem at EBI.