General Information of the Compound
| Compound ID |
CP0882894
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| Compound Name |
7-((1R,2S)-2-(4-(cyclohexyl(hydroxy)methyl)phenyl)-5-oxocyclopentyl)heptanoic acid
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| Structure |
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| Formula |
C25H36O4
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| Molecular Weight |
400.559
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| Canonical SMILES |
O=C(O)CCCCCC[C@H]1C(=O)CC[C@@H]1c1ccc(C(O)C2CCCCC2)cc1
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| InChI |
InChI=1S/C25H36O4/c26-23-17-16-21(22(23)10-6-1-2-7-11-24(27)28)18-12-14-20(15-13-18)25(29)19-8-4-3-5-9-19/h12-15,19,21-22,25,29H,1-11,16-17H2,(H,27,28)/t21-,22-,25?/m1/s1
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| InChIKey |
FLFZVSDHXMCUKI-QQMHWKEJSA-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
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01819, Thromboxane A2 receptor