General Information of the Compound
| Compound ID |
CP0496965
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| Compound Name |
2-(3,5-Di-tert-butyl-phenyl)-indan-1,3-dione
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| Structure |
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| Formula |
C23H26O2
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| Molecular Weight |
334.459
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| Canonical SMILES |
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C23H26O2/c1-22(2,3)15-11-14(12-16(13-15)23(4,5)6)19-20(24)17-9-7-8-10-18(17)21(19)25/h7-13,19H,1-6H3
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| InChIKey |
ITVMYFGQCMFWIN-UHFFFAOYSA-N
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| CAS |
13936-01-1
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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