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(Q82153464)
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SCHEMBL13056438
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
476.08422086400003
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₅H₁₇FN₂O₅S
0 references
canonical SMILES
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C1=CC=C(C(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC(=CC=C4)C(=O)O)/C(=O)NC2=S)F
0 references
Identifiers
InChI
InChI=1S/C25H17FN2O5S/c26-20-6-1-2-7-21(20)28-23(30)19(22(29)27-25(28)34)13-15-8-10-18(11-9-15)33-14-16-4-3-5-17(12-16)24(31)32/h1-13H,14H2,(H,31,32)(H,27,29,34)/b19-13+
0 references
InChIKey
KUPOEJRJGMYSJK-CPNJWEJPSA-N
0 references
CAS Registry Number
348578-49-4
0 references
PubChem CID
2273936
1 reference
matched by identifier from
InChIKey
InChIKey
KUPOEJRJGMYSJK-CPNJWEJPSA-N
UniChem compound ID
47135105
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40367548
1 reference
matched by identifier from
InChIKey
InChIKey
KUPOEJRJGMYSJK-CPNJWEJPSA-N
DSSTOX compound identifier
DTXCID50318586
0 references
NSC number
727431
0 references
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