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(Q72444338)
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English
1-Azakenpaullone
chemical compound
9-Bromo-7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indol-6(5H)-one
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical formula
C₁₅H₁₀BrN₃O
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canonical SMILES
O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H10BrN3O/c16-8-3-4-11-9(6-8)10-7-13(20)18-12-2-1-5-17-15(12)14(10)19-11/h1-6,19H,7H2,(H,18,20)
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InChIKey
NTSBZVCEIVPKBJ-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
676596-65-9
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PubChem CID
6538897
1 reference
matched by identifier from
InChIKey
InChIKey
NTSBZVCEIVPKBJ-UHFFFAOYSA-N
ChEBI ID
131490
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H10BrN3O/c16-8-3-4-11-9(6-8)10-7-13(20)18-12-2-1-5-17-15(12)14(10)19-11/h1-6,19H,7H2,(H,18,20)
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