General Information of the Compound
| Compound ID |
CP0866291
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| Compound Name |
7-((1R,2S,3R)-2-(4-(cyclohexyl(hydroxy)methyl)phenyl)-3-hydroxy-5-oxocyclopentyl)hept-5-enoic acid
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| Structure |
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| Formula |
C25H34O5
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| Molecular Weight |
414.542
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| Canonical SMILES |
O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C(O)C2CCCCC2)cc1
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| InChI |
InChI=1S/C25H34O5/c26-21-16-22(27)24(20(21)10-6-1-2-7-11-23(28)29)17-12-14-19(15-13-17)25(30)18-8-4-3-5-9-18/h1,6,12-15,18,20,22,24-25,27,30H,2-5,7-11,16H2,(H,28,29)/b6-1-/t20-,22+,24+,25?/m0/s1
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| InChIKey |
JFCUIZFHNHUFLO-BUYFTJNASA-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