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CHEBI:759816 - jbi-802 free base

Default Structure
ChEBI IDCHEBI:759816
ChEBI Namejbi-802 free base
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC21H22N4O2
Net Charge0
Average Mass362.433
Monoisotopic Mass362.17428
SMILESO=C(NO)c1ccc(Cn2cc(CN[C@@H]3C[C@H]3c3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N4O2/c26-21(24-27)18-8-6-15(7-9-18)13-25-14-16(12-23-25)11-22-20-10-19(20)17-4-2-1-3-5-17/h1-9,12,14,19-20,22,27H,10-11,13H2,(H,24,26)/t19-,20+/m0/s1
InChIKeyVLTIYMVMEIUCSB-VQTJNVASSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
jbi-802 free base (CHEBI:759816) is a benzoic acids (CHEBI:22723)