General Information of the Compound
| Compound ID |
CP0214113
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| Compound Name |
5-Bromo-4-methoxy-2-(2,6,6-trimethyl-4-methylene-cyclohex-2-enylmethyl)-phenol
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| Structure |
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| Formula |
C18H23BrO2
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| Molecular Weight |
351.284
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| Canonical SMILES |
COc1cc(CC2C(C)=CC(=C)CC2(C)C)c(O)cc1Br
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| InChI |
InChI=1S/C18H23BrO2/c1-11-6-12(2)14(18(3,4)10-11)7-13-8-17(21-5)15(19)9-16(13)20/h6,8-9,14,20H,1,7,10H2,2-5H3
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| InChIKey |
LTVRZWVCODPBKO-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