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(Q82192680)
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3-(Furfurylaminocarbonyl)phenylboronic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
245.039
dalton
1 reference
stated in
RCSB protein data bank
PDB ligand ID
JW3
language of work or name
English
retrieved
16 February 2021
chemical formula
C₁₂H₁₂BNO₄
0 references
canonical SMILES
B(C1=CC(=CC=C1)C(=O)NCC2=CC=CO2)(O)O
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Identifiers
InChI
InChI=1S/C12H12BNO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h1-7,16-17H,8H2,(H,14,15)
0 references
InChIKey
BYRIHRGFMYXTLC-UHFFFAOYSA-N
0 references
CAS Registry Number
850567-27-0
0 references
PubChem CID
3571907
1 reference
matched by identifier from
InChIKey
InChIKey
BYRIHRGFMYXTLC-UHFFFAOYSA-N
UniChem compound ID
23217283
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00393762
1 reference
matched by identifier from
InChIKey
InChIKey
BYRIHRGFMYXTLC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90344622
0 references
PDB ligand ID
JW3
0 references
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