Dataset

1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)

dataset for 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
SMILES C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O
InChI Key LOUPRKONTZGTKE-WZBLMQSHSA-N
Molecular Formula C20H24N2O2
Exact Mass 324.417 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LOUPRKONTZGTKE-WZBLMQSHSA-N/CHMO0001149
License URL
Source https://www.chemotion-repository.net/inchikey/LOUPRKONTZGTKE-WZBLMQSHSA-N/CHMO0001149
Version
Author Johannes Liermann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-13
Related Molecule
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    • Field Value
    Measurement Technique 1H–15N heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00468 drugbank
    CHEBI:15854 chebi
    QI9 rcsb_pdb
    CHEMBL170 chembl
    27031 surechembl
    27032 surechembl
    3034034 pubchem
    A7V27PHC7A fdasrs
    QI9 pdbe
    PD010011 probes_and_drugs
    BOMDUC CCDC
    2219 brenda
    229837 brenda
    229838 brenda
    HMDB0014611 hmdb
    DTXSID0044280 comptox
    NCT00124267 clinicaltrials
    NCT00167739 clinicaltrials
    NCT00299208 clinicaltrials
    NCT00322907 clinicaltrials
    NCT00329134 clinicaltrials
    NCT00451139 clinicaltrials
    NCT00495508 clinicaltrials
    NCT00540202 clinicaltrials
    NCT00726414 clinicaltrials
    NCT00726895 clinicaltrials
    NCT00727272 clinicaltrials
    NCT00779259 clinicaltrials
    NCT00785213 clinicaltrials
    NCT00785980 clinicaltrials
    NCT01047436 clinicaltrials
    NCT01258049 clinicaltrials
    NCT01374581 clinicaltrials
    NCT01805232 clinicaltrials
    NCT01851473 clinicaltrials
    NCT02092766 clinicaltrials
    NCT02276989 clinicaltrials
    NCT02492178 clinicaltrials
    NCT02563704 clinicaltrials
    NCT02974348 clinicaltrials
    NCT04553705 clinicaltrials
    Molport-000-146-082 molport
    4523 drugcentral
    50367247 bindingdb
    The data in this table is sourced from UniChem at EBI.