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(Q4972)
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Revision as of 19:02, 1 August 2024 by
Egonw
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Created claim:
part of
(P21)
:
AOP-Wiki Prototypical Stressors
(Q4761)
, #quickstatements; #temporary_batch_1722538560686)
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Statements
instance of
type of a chemical entity
0 references
SMILES (without stereochemistry)
CN1C=C(C(=N1)C(F)F)C(=O)NC2=C(C=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl
0 references
chemical formula
C₁₈H₁₂Cl₂F₃N₃O
1 reference
based on heuristic
inferred from SMILES
mass
414.2091
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)
1 reference
based on heuristic
inferred from SMILES
InChIKey
LDLMOOXUCMHBMZ-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
11434448
1 reference
based on heuristic
inferred from InChIKey
AOP-Wiki Stressor ID
775
0 references
part of
AOP-Wiki Prototypical Stressors
0 references