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(Q82246344)
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English
(2-{[(4-Fluorophenyl)methyl]sulfanyl}-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)acetic 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
334.07874155999997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₅FN₂O₃S
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canonical SMILES
C1CC2=C(C1)N(C(=NC2=O)SCC3=CC=C(C=C3)F)CC(=O)O
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Identifiers
InChI
InChI=1S/C16H15FN2O3S/c17-11-6-4-10(5-7-11)9-23-16-18-15(22)12-2-1-3-13(12)19(16)8-14(20)21/h4-7H,1-3,8-9H2,(H,20,21)
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InChIKey
DJGRXBDYBUKPOC-UHFFFAOYSA-N
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CAS Registry Number
356058-42-9
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PubChem CID
9880779
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matched by identifier from
InChIKey
InChIKey
DJGRXBDYBUKPOC-UHFFFAOYSA-N
UniChem compound ID
30627643
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50432271
1 reference
matched by identifier from
InChIKey
InChIKey
DJGRXBDYBUKPOC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20383100
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