EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47463 - 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE

Default Structure
ChEBI IDCHEBI:47463
ChEBI Name4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE
Stars
DownloadsMolfile
FormulaC11H10BrN5O2
Net Charge0
Average Mass324.138
Monoisotopic Mass323.00179
SMILES[H]C1=C(Br)N=C2C(=O)N([H])C([H])([H])C([H])([H])[C@]([H])(C3=NC(N([H])[H])=NC3=O)[C@@]21[H]
InChIInChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-5H,1-2H2,(H,14,18)(H2,13,17,19)/t4-,5-/m0/s1
InChIKeyQPCBNXNDVYOBIP-WHFBIAKZSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE (CHEBI:47463) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3aR,4S)-4-(2-amino-4-oxo-4H-imidazol-5-yl)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(3aH)-onePDBeChem
4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONEPDBeChem
Manual XrefsDatabases
HMDPDBeChem