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(Q83074237)
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English
3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
526.2077013120002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₂₆N₈O₄
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canonical SMILES
C1CN=C(N1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)NC4=CC=C(C=C4)C5=NCCN5
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Identifiers
InChI
InChI=1S/C27H26N8O4/c36-25(37)18-13-21(34-26(38)32-19-5-1-16(2-6-19)23-28-9-10-29-23)15-22(14-18)35-27(39)33-20-7-3-17(4-8-20)24-30-11-12-31-24/h1-8,13-15H,9-12H2,(H,28,29)(H,30,31)(H,36,37)(H2,32,34,38)(H2,33,35,39)
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InChIKey
PQQQHHNCTCOPJD-UHFFFAOYSA-N
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CAS Registry Number
5300-56-1
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PubChem CID
414760
1 reference
matched by identifier from
InChIKey
InChIKey
PQQQHHNCTCOPJD-UHFFFAOYSA-N
UniChem compound ID
47710553
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60201051
1 reference
matched by identifier from
InChIKey
InChIKey
PQQQHHNCTCOPJD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60123542
0 references
NSC number
63683
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