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CHEBI:92855 - N-(3-chloro-4-fluorophenyl)-6-[4-(diethylaminomethyl)-1-piperidinyl]-4-pyrimido[5,4-d]pyrimidinamine

ChEBI IDCHEBI:92855
ChEBI NameN-(3-chloro-4-fluorophenyl)-6-[4-(diethylaminomethyl)-1-piperidinyl]-4-pyrimido[5,4-d]pyrimidinamine
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DownloadsMolfile
FormulaC22H27ClFN7
Net Charge0
Average Mass443.958
Monoisotopic Mass443.20005
SMILESCCN(CC)CC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1
InChIInChI=1S/C22H27ClFN7/c1-3-30(4-2)13-15-7-9-31(10-8-15)22-25-12-19-20(29-22)21(27-14-26-19)28-16-5-6-18(24)17(23)11-16/h5-6,11-12,14-15H,3-4,7-10,13H2,1-2H3,(H,26,27,28)
InChIKeyJUGSLZCFNSTKBN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-(3-chloro-4-fluorophenyl)-6-[4-(diethylaminomethyl)-1-piperidinyl]-4-pyrimido[5,4-d]pyrimidinamine (CHEBI:92855) is a dialkylarylamine (CHEBI:23665)
N-(3-chloro-4-fluorophenyl)-6-[4-(diethylaminomethyl)-1-piperidinyl]-4-pyrimido[5,4-d]pyrimidinamine (CHEBI:92855) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
LSM-3083LINCS