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(Q82057322)
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English
4-[[3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]carbamoyl]benzenesulfonyl fluoride
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
412.0753874960001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₃FN₆O₃S
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canonical SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)F)C3=NC(=C4C=NNC4=N3)N
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Identifiers
InChI
InChI=1S/C18H13FN6O3S/c19-29(27,28)13-6-4-10(5-7-13)18(26)22-12-3-1-2-11(8-12)16-23-15(20)14-9-21-25-17(14)24-16/h1-9H,(H,22,26)(H3,20,21,23,24,25)
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InChIKey
PTWUHORTXDKVEH-UHFFFAOYSA-N
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CAS Registry Number
17720-50-2
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PubChem CID
309017
1 reference
matched by identifier from
InChIKey
InChIKey
PTWUHORTXDKVEH-UHFFFAOYSA-N
UniChem compound ID
66693935
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70309113
1 reference
matched by identifier from
InChIKey
InChIKey
PTWUHORTXDKVEH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10260239
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NSC number
211162
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