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

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ChEBI Name N-(3-chloro-4-fluorophenyl)-6-[4-(diethylaminomethyl)-1-piperidinyl]-4-pyrimido[5,4-d]pyrimidinamine
ChEBI ID CHEBI:92855
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H27ClFN7
Net Charge 0
Average Mass 443.949
Monoisotopic Mass 443.20005
InChI InChI=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)
InChIKey JUGSLZCFNSTKBN-UHFFFAOYSA-N
SMILES CCN(CC)CC1CCN(CC1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-3083 LINCS
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