CHEBI:187019 - AFN911

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name AFN911
ChEBI ID CHEBI:187019
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H33N7O2
Net Charge 0
Average Mass 511.630
Monoisotopic Mass 511.26957
InChI InChI=1S/C29H33N7O2/c1-35-13-15-36(16-14-35)19-21-4-6-22(7-5-21)28(38)32-25-9-8-24(20-37)27(17-25)34-29-31-12-10-26(33-29)23-3-2-11-30-18-23/h2-12,17-18,24,27,37H,13-16,19-20H2,1H3,(H,32,38)(H,31,33,34)
InChIKey JBSTUPHUZMAVFU-UHFFFAOYSA-N
SMILES OCC1C(NC=2N=C(C=CN2)C=3C=CC=NC3)C=C(NC(=O)C4=CC=C(CN5CCN(CC5)C)C=C4)C=C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing AFN911 (CHEBI:187019) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name
N-[4-(hydroxymethyl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexa-1,5-dien-1-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Manual Xrefs Databases
35032774 ChemSpider
HMDB0013863 HMDB
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