General Information of the Compound
| Compound ID |
CP0137296
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| Compound Name |
3,3-bis(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-2-benzofuran-1-one
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| Structure |
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| Formula |
C28H30O4
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| Molecular Weight |
430.544
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| Canonical SMILES |
CC(C)c1cc(c(C)cc1O)C1(OC(=O)c2ccccc12)c1cc(C(C)C)c(O)cc1C
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| InChI |
InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3
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| InChIKey |
LDKDGDIWEUUXSH-UHFFFAOYSA-N
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| CAS |
125-20-2
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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: PT06124, Paired box protein Pax-8