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(Q107209329)
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English
icenticaftor
chemical compound
QBW251
3-Amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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has use
medication
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chemical structure
Icenticaftor.svg
660 × 335; 16 KB
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mass
361.086110596
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₃F₆N₃O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(CNC(=O)C1=C(C=C(C(=N1)OC)C(F)(F)F)N)(C(F)(F)F)O
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isomeric SMILES
C[C@](CNC(=O)C1=C(C=C(C(=N1)OC)C(F)(F)F)N)(C(F)(F)F)O
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Identifiers
InChI
InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1
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InChIKey
USHQRIKZLHNPQR-JTQLQIEISA-N
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CAS Registry Number
1334546-77-8
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PubChem CID
58442344
1 reference
matched by identifier from
InChIKey
InChIKey
USHQRIKZLHNPQR-JTQLQIEISA-N
UniChem compound ID
63447417
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601336884
1 reference
matched by identifier from
InChIKey
InChIKey
USHQRIKZLHNPQR-JTQLQIEISA-N
UNII
AMB0BO0WFH
1 reference
matched by identifier from
InChIKey
InChIKey
USHQRIKZLHNPQR-JTQLQIEISA-N
Probes And Drugs ID
PD129602
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Icenticaftor
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