General Information of the Compound
| Compound ID |
CP0123765
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| Compound Name |
5-Bromo-2-((S)-2,2-dimethyl-6-methylene-cyclohexylmethyl)-4-methoxy-phenol
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| Structure |
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| Formula |
C17H23BrO2
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| Molecular Weight |
339.273
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| Canonical SMILES |
COc1cc(C[C@@H]2C(=C)CCCC2(C)C)c(O)cc1Br
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| InChI |
InChI=1S/C17H23BrO2/c1-11-6-5-7-17(2,3)13(11)8-12-9-16(20-4)14(18)10-15(12)19/h9-10,13,19H,1,5-8H2,2-4H3/t13-/m1/s1
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| InChIKey |
NHOGRLKDZYGUSJ-CYBMUJFWSA-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