Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C18H13N5/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-18(14)22-16-10-4-6-12-20-16/h1-12H,(H,19,20,21,22,23) |
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SMILES | c1ccc(nc1)/N=C/1\N/C(=N\c2ccccn2)/c2c1cccc2 |
InChI Key | BSMBZDDPUMOQPJ-UHFFFAOYSA-N |
Molecular Formula | C18H13N5 |
Exact Mass | 299.329 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/BSMBZDDPUMOQPJ-UHFFFAOYSA-N/CHMO0000596 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/BSMBZDDPUMOQPJ-UHFFFAOYSA-N/CHMO0000596 |
Version | |
Author | Victor Larignon |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T05:47:43.360079 |
MetadataModified | 2024-09-07T21:22:44.678516 |
MetadataPublished | 2022-01-29 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
5671398 | PubChem |
SCHEMBL3968879 | SureChEMBL |
174472 | Brenda |
6362174 | PubChem |
2335342 | PubChem |
CHEMBL1586416 | ChEMBL |
J1.429.957B | Nikkaji |
38947 | BindingDB |
DTXSID40368151 | EPA CompTox Dashboard |
ISAKUI | CCDC |
The data in this table is sourced from UniChem at EBI. |