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CHEBI:39079 - linkable PD173955 analogue

ChEBI IDCHEBI:39079
ChEBI Namelinkable PD173955 analogue
Stars
DefinitionAn analogue of PD173955 where the methylmercapto group is replaced by aminomethyl.
Last Modified23 October 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H17Cl2N5O
Net Charge0
Average Mass426.307
Monoisotopic Mass425.08102
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(CN)c3)nc21
InChIInChI=1S/C21H17Cl2N5O/c1-28-19-13(9-15(20(28)29)18-16(22)6-3-7-17(18)23)11-25-21(27-19)26-14-5-2-4-12(8-14)10-24/h2-9,11H,10,24H2,1H3,(H,25,26,27)
InChIKeyNUQCXBVHWKCTQL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
linkable PD173955 analogue (CHEBI:39079) has functional parent PD173955 (CHEBI:49791)
linkable PD173955 analogue (CHEBI:39079) is a dichlorobenzene (CHEBI:23697)
linkable PD173955 analogue (CHEBI:39079) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
2-{[3-(aminomethyl)phenyl]amino}-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Synonym  Source
PD173955 aminomethyl analogueChEBI