General Information of the Compound
| Compound ID |
CP0456252
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| Compound Name |
[4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol
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| Structure |
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| Formula |
C21H28O
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| Molecular Weight |
296.454
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| Canonical SMILES |
CC(C)c1cc(cc(c1CO)-c1cccc(C)c1)C(C)(C)C
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| InChI |
InChI=1S/C21H28O/c1-14(2)18-11-17(21(4,5)6)12-19(20(18)13-22)16-9-7-8-15(3)10-16/h7-12,14,22H,13H2,1-6H3
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| InChIKey |
GTUKAFVZSHMPTA-UHFFFAOYSA-N
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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