loading...| Preferred Name |
dabrafenib |
|
| Synonyms |
|
|
| Definitions |
An organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_75045 |
|
| charge |
0 |
|
| definition |
An organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma. |
|
| formula |
C23H20F3N5O2S2 |
|
| has characteristic |
http://purl.obolibrary.org/obo/CHEBI_75047 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_75047 |
|
| inchi |
InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) |
|
| inchikey |
BFSMGDJOXZAERB-UHFFFAOYSA-N |
|
| label |
dabrafenib |
|
| mass |
519.56200 |
|
| monoisotopicmass |
519.10105 |
|
| prefixIRI |
CHEBI:75045 |
|
| prefLabel |
dabrafenib |
|
| smiles |
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)-c1ccnc(N)n1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35358 http://purl.obolibrary.org/obo/CHEBI_37143 |