General Information of the Compound
| Compound ID |
CP0043286
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| Compound Name |
5-Bromo-2-((1S,4R)-4-hydroxymethyl-2,2-dimethyl-6-methylene-cyclohexylmethyl)-4-methoxy-phenol
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| Structure |
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| Formula |
C18H25BrO3
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| Molecular Weight |
369.299
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| Canonical SMILES |
COc1cc(C[C@@H]2C(=C)C[C@H](CO)CC2(C)C)c(O)cc1Br
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| InChI |
InChI=1S/C18H25BrO3/c1-11-5-12(10-20)9-18(2,3)14(11)6-13-7-17(22-4)15(19)8-16(13)21/h7-8,12,14,20-21H,1,5-6,9-10H2,2-4H3/t12-,14+/m0/s1
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| InChIKey |
HHTOHVPKRLNAMM-GXTWGEPZSA-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