Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
SMILES O=C1NC(=O)NC1(c1ccccc1)c1ccccc1
InChI Key CXOFVDLJLONNDW-UHFFFAOYSA-N
Molecular Formula C15H12N2O2
Exact Mass 252.268 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CXOFVDLJLONNDW-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/CXOFVDLJLONNDW-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-10-08
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-08-28

Start time : 13:04:12 UTC

Creator : Simone Gräßle

Label : CCP-3747

ID : 384727

Solvent : DMSO

Temperature : 298.000067023034 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
DB00252 drugbank
CHEMBL16 chembl
3440 surechembl
146015336 pubchem
1775 pubchem
6158TKW0C5 fdasrs
2624 gtopdb
PD002756 probes_and_drugs
PHYDAN CCDC
103877 brenda
10642 brenda
108876 brenda
256547 brenda
43502 brenda
49993 brenda
CHEBI:8107 chebi
HMDB0014397 hmdb
DTXSID8020541 comptox
NCT00000285 clinicaltrials
NCT00004817 clinicaltrials
NCT00040469 clinicaltrials
NCT00146237 clinicaltrials
NCT00210782 clinicaltrials
NCT00219479 clinicaltrials
NCT00245037 clinicaltrials
NCT00366067 clinicaltrials
NCT00510783 clinicaltrials
NCT00552526 clinicaltrials
NCT00581893 clinicaltrials
NCT00591006 clinicaltrials
NCT00598923 clinicaltrials
NCT00610532 clinicaltrials
NCT00618436 clinicaltrials
NCT00627575 clinicaltrials
NCT00801931 clinicaltrials
NCT01122940 clinicaltrials
NCT01122953 clinicaltrials
NCT01187719 clinicaltrials
NCT01355068 clinicaltrials
NCT01451593 clinicaltrials
NCT01478035 clinicaltrials
NCT01635829 clinicaltrials
NCT01680042 clinicaltrials
NCT01730313 clinicaltrials
NCT01878578 clinicaltrials
NCT02088957 clinicaltrials
NCT02088957 clinicaltrials
NCT02205931 clinicaltrials
NCT02283827 clinicaltrials
NCT02374567 clinicaltrials
NCT02409433 clinicaltrials
NCT02413658 clinicaltrials
NCT02707965 clinicaltrials
NCT02939937 clinicaltrials
NCT03161509 clinicaltrials
NCT03512756 clinicaltrials
NCT03632915 clinicaltrials
NCT03778996 clinicaltrials
NCT04176887 clinicaltrials
NCT04647877 clinicaltrials
NCT04845646 clinicaltrials
NCT04967326 clinicaltrials
NCT04981704 clinicaltrials
NCT05637086 clinicaltrials
NCT05697614 clinicaltrials
NCT05901714 clinicaltrials
NCT05995249 clinicaltrials
Molport-001-785-683 molport
Molport-002-365-712 molport
2152 drugcentral
50003655 bindingdb
50101816 bindingdb
The data in this table is sourced from UniChem at EBI.