General Information of the Compound
| Compound ID |
CP0222076
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| Compound Name |
(1R,3R)-5-((R)-11-hydroxy-7,11-dimethyldodec-2-enylidene)-2-methylenecyclohexane-1,3-diol
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| Structure |
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| Formula |
C21H36O3
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| Molecular Weight |
336.516
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| Canonical SMILES |
C[C@H](CCC\C=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1)CCCC(C)(C)O
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| InChI |
InChI=1S/C21H36O3/c1-16(11-9-13-21(3,4)24)10-7-5-6-8-12-18-14-19(22)17(2)20(23)15-18/h6,8,12,16,19-20,22-24H,2,5,7,9-11,13-15H2,1,3-4H3/b8-6+/t16-,19-,20-/m1/s1
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| InChIKey |
LUSMPDMKQNFYAA-VTGVEZJUSA-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