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(Q76155772)
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English
1-[(3S,3aR)-5-(4-methylphenyl)sulfonyl-3-phenyl-3a,4-dihydro-3H-pyrazolo[4,3-c]quinolin-2-yl]ethanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
445.146012596
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₅H₂₃N₃O₃S
0 references
canonical SMILES
CC(=O)N1N=C2c3ccccc3N(S(=O)(=O)c3ccc(C)cc3)CC2C1c1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3[C@H](N(N=C3C4=CC=CC=C42)C(=O)C)C5=CC=CC=C5
0 references
Identifiers
InChI
InChI=1S/C25H23N3O3S/c1-17-12-14-20(15-13-17)32(30,31)27-16-22-24(21-10-6-7-11-23(21)27)26-28(18(2)29)25(22)19-8-4-3-5-9-19/h3-15,22,25H,16H2,1-2H3/t22-,25+/m0/s1
0 references
InChIKey
WIJORROJSDRJBY-WIOPSUGQSA-N
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CAS Registry Number
76298-68-5
0 references
PubChem CID
3059291
1 reference
matched by identifier from
InChIKey
InChIKey
WIJORROJSDRJBY-WIOPSUGQSA-N
UniChem compound ID
65905402
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60227170
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
WIJORROJSDRJBY-WIOPSUGQSA-N
DSSTOX compound identifier
DTXCID60149661
0 references
UNII
CNQ75Z3LYM
1 reference
matched by identifier from
InChIKey
InChIKey
WIJORROJSDRJBY-WIOPSUGQSA-N
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