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CHEBI:188717 - TX1-85-3

ChEBI IDCHEBI:188717
ChEBI NameTX1-85-3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N8O3
Net Charge0
Average Mass582.709
Monoisotopic Mass582.30669
SMILESCCC(=O)Nc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1Oc1ccccc1
InChIInChI=1S/C32H38N8O3/c1-3-28(42)36-26-19-22(9-14-27(26)43-25-7-5-4-6-8-25)30-29-31(33)34-20-35-32(29)40(37-30)24-12-10-23(11-13-24)39-17-15-38(16-18-39)21(2)41/h4-9,14,19-20,23-24H,3,10-13,15-18H2,1-2H3,(H,36,42)(H2,33,34,35)
InChIKeyBGJVGAPKEVEYNN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
TX1-85-3 (CHEBI:188717) is a aromatic amide (CHEBI:62733)
IUPAC Name 
N-[5-[1-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-2-phenoxyphenyl]propanamide
Manual XrefsDatabases
32674413ChemSpider