CHEBI:122092 - 8-fluoro-4-(4-methylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole

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ChEBI Name 8-fluoro-4-(4-methylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole
ChEBI ID CHEBI:122092
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H17FN5
Net Charge +1
Average Mass 286.328
Monoisotopic Mass 286.14625
InChI InChI=1S/C15H16FN5/c1-20-4-6-21(7-5-20)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)19-14/h2-3,8-9,19H,4-7H2,1H3/p+1
InChIKey LEYHARBCQOPTMC-UHFFFAOYSA-O
SMILES CN1CCN(CC1)C2=[NH+]C=NC3=C2NC4=C3C=C(C=C4)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-fluoro-4-(4-methylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole (CHEBI:122092) is a N-arylpiperazine (CHEBI:46848)
Manual Xref Database
LSM-33535 LINCS
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