CHEBI:39733 - (Z)-SB-590885

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (Z)-SB-590885
ChEBI ID CHEBI:39733
ChEBI ASCII Name (Z)-SB-590885
Definition An N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine in which the oxime group has Z configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C27H27N5O2
Net Charge 0
Average Mass 453.537
Monoisotopic Mass 453.21648
InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24-
InChIKey MLSAQOINCGAULQ-QLTSDVKISA-N
SMILES C/1CC2=C(\C1=N/O)C=CC(=C2)C=3N=C(NC3C=4C=CN=CC4)C5=CC=C(C=C5)OCCN(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (Z)-SB-590885 (CHEBI:39733) is a N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine (CHEBI:131880)
Incoming SB-590885 (CHEBI:131882) has part (Z)-SB-590885 (CHEBI:39733)
IUPAC Name
(1Z)-N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine
Synonym Source
(1Z)-5-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5-pyridin-4-yl-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime PDBeChem
Manual Xref Database
215 PDBeChem
View more database links
Registry Number Type Source
25380113 Reaxys Registry Number Reaxys
Last Modified
03 May 2016