General Information of the Compound
| Compound ID |
CP0418759
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| Compound Name |
[4-tert-butyl-2-(3-methylsulfanylphenyl)-6-propan-2-ylphenyl]methanol
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| Structure |
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| Formula |
C21H28OS
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| Molecular Weight |
328.521
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| Canonical SMILES |
CSc1cccc(c1)-c1cc(cc(C(C)C)c1CO)C(C)(C)C
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| InChI |
InChI=1S/C21H28OS/c1-14(2)18-11-16(21(3,4)5)12-19(20(18)13-22)15-8-7-9-17(10-15)23-6/h7-12,14,22H,13H2,1-6H3
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| InChIKey |
FCZVDWWPWKSMOW-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