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(Q4860)
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Revision as of 18:59, 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)
CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C
0 references
chemical formula
C₂₂H₂₈N₂O₂
1 reference
based on heuristic
inferred from SMILES
mass
352.4707
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
1 reference
based on heuristic
inferred from SMILES
InChIKey
QYPNKSZPJQQLRK-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
91773
1 reference
based on heuristic
inferred from InChIKey
AOP-Wiki Stressor ID
164
0 references
part of
AOP-Wiki Prototypical Stressors
0 references