General Information of the Compound
| Compound ID |
CP0494087
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| Compound Name |
2,6-ditert-butyl-4-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]phenol
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| Structure |
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| Formula |
C20H30N2OS
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| Molecular Weight |
346.54
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| Canonical SMILES |
CN(C)Cc1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C20H30N2OS/c1-19(2,3)14-9-13(10-15(18(14)23)20(4,5)6)16-12-24-17(21-16)11-22(7)8/h9-10,12,23H,11H2,1-8H3
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| InChIKey |
QHKZOAMCTFXZHG-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