General Information of the Compound
| Compound ID |
CP0433892
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| Compound Name |
4-[2-(3,5-dimethyl-5-oxidanyl-2-oxidanylidene-cyclohexyl)-2-oxidanyl-ethyl]piperidine-2,6-dione
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| Structure |
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| Formula |
C15H23NO5
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| Molecular Weight |
297.351
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| Canonical SMILES |
CC1CC(C)(O)CC(C(O)CC2CC(=O)NC(=O)C2)C1=O
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| InChI |
InChI=1S/C15H23NO5/c1-8-6-15(2,21)7-10(14(8)20)11(17)3-9-4-12(18)16-13(19)5-9/h8-11,17,21H,3-7H2,1-2H3,(H,16,18,19)
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| InChIKey |
NFDQYBUVHVRNNY-UHFFFAOYSA-N
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| CAS |
11034-42-7
523-86-4
1491-89-0
28116-56-5
75521-70-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8