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CHEBI:197341 - GYS32661

ChEBI IDCHEBI:197341
ChEBI NameGYS32661
Stars
DefinitionA member of the class of quinolines that is quinoline substituted by (5-{4-[(morpholin-4-yl)methyl]-1H-imidazol-1-yl}pentyl)sulfanediyl and trifluoromethyl groups at positions 4 and 7, respectively. It is a Rac inhibitor that inhibits both Rac1 and Rac1b.
Last Modified25 September 2023
Submitterslaulederkind
DownloadsMolfile
FormulaC23H27F3N4OS
Net Charge0
Average Mass464.557
Monoisotopic Mass464.18577
SMILESFC(F)(F)c1ccc2c(SCCCCCn3cnc(CN4CCOCC4)c3)ccnc2c1
InChIInChI=1S/C23H27F3N4OS/c24-23(25,26)18-4-5-20-21(14-18)27-7-6-22(20)32-13-3-1-2-8-30-16-19(28-17-30)15-29-9-11-31-12-10-29/h4-7,14,16-17H,1-3,8-13,15H2
InChIKeyUEZJAHLAEKXBTP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Rac1 inhibitor  Any inhibitor of Rac1.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
GYS32661 (CHEBI:197341) has role antineoplastic agent (CHEBI:35610)
GYS32661 (CHEBI:197341) has role Rac1 inhibitor (CHEBI:197347)
GYS32661 (CHEBI:197341) is a aryl sulfide (CHEBI:35683)
GYS32661 (CHEBI:197341) is a imidazoles (CHEBI:24780)
GYS32661 (CHEBI:197341) is a morpholines (CHEBI:38785)
GYS32661 (CHEBI:197341) is a organofluorine compound (CHEBI:37143)
GYS32661 (CHEBI:197341) is a quinolines (CHEBI:26513)
GYS32661 (CHEBI:197341) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
4-({5-[4-(morpholin-4-ylmethyl)-1H-imidazol-1-yl]pentyl}sulfanyl)-7-(trifluoromethyl)quinoline
Synonyms  Source
4-((1-(5-((7-(trifluoromethyl)quinolin-4-yl)thio)pentyl)-1H-imidazol-4-yl)methyl)morpholineChEBI
GYS-32661SUBMITTER
GYS 32661ChEBI
Registry NumbersSources
CAS:2589092-11-3SUBMITTER
Citations