skip to main content

Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > brigatinib

Preferred term

brigatinib  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C29H39ClN7O2P

has_role

inchi

  • InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)

inchikey

  • AILRADAXUVEEIR-UHFFFAOYSA-N

mass

  • 584.100

monoisotopicmass

  • 583.25914

smiles

  • CN1CCN(CC1)C2CCN(CC2)C=3C=CC(=C(C3)OC)NC4=NC=C(/C(=N/C5=CC=CC=C5P(C)(C)=O)/N4)Cl

subset

  • 2_STAR

synonym EXACT

  • 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine

synonym RELATED

  • AP26113

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232810

Download this concept:

RDF/XML TURTLE JSON-LD