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CHEBI:114591 - 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile

ChEBI IDCHEBI:114591
ChEBI Name2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
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FormulaC25H26N4O3
Net Charge0
Average Mass430.508
Monoisotopic Mass430.20049
SMILESCOc1ccc(C2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C25H26N4O3/c1-25(2)11-18-23(19(30)12-25)22(15-7-8-20(31-3)21(10-15)32-4)17(13-26)24(27)29(18)16-6-5-9-28-14-16/h5-10,14,22H,11-12,27H2,1-4H3
InChIKeyWBTPQXGYWHGJID-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile (CHEBI:114591) is a quinolines (CHEBI:26513)
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LSM-26053LINCS