General Information of the Compound
| Compound ID |
CP0866247
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| Compound Name |
methyl 7-((1R,2S)-2-(4-((R)-cyclohexyl(hydroxy)methyl)phenyl)-5-oxocyclopentyl)hept-5-enoate
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| Structure |
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| Formula |
C26H36O4
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| Molecular Weight |
412.57
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| Canonical SMILES |
COC(=O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1c1ccc([C@H](O)C2CCCCC2)cc1
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| InChI |
InChI=1S/C26H36O4/c1-30-25(28)12-8-3-2-7-11-23-22(17-18-24(23)27)19-13-15-21(16-14-19)26(29)20-9-5-4-6-10-20/h2,7,13-16,20,22-23,26,29H,3-6,8-12,17-18H2,1H3/b7-2-/t22-,23-,26-/m1/s1
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| InChIKey |
JBOFLWFXLZLMCS-SUUUBZGCSA-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