CHEBI:94979 - 8-chloro-4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)-3-quinolinecarbonitrile

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ChEBI Name 8-chloro-4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)-3-quinolinecarbonitrile
ChEBI ID CHEBI:94979
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H13Cl2FN6
Net Charge 0
Average Mass 427.262
Monoisotopic Mass 426.05628
InChI InChI=1S/C20H13Cl2FN6/c21-16-4-12(1-2-18(16)23)29-19-11(6-24)7-27-20-15(19)3-13(5-17(20)22)26-9-14-8-25-10-28-14/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29)
InChIKey ONXROKMQGCSOMG-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1NC2=C(C=NC3=C(C=C(C=C32)NCC4=CN=CN4)Cl)C#N)Cl)F
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 8-chloro-4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)-3-quinolinecarbonitrile (CHEBI:94979) is a aminoquinoline (CHEBI:36709)
Manual Xref Database
LSM-6200 LINCS
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