General Information of the Compound
| Compound ID |
CP0888316
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| Compound Name |
methyl 7-((1R,2S)-2-(4-(cyclohexyl(hydroxy)methyl)phenyl)-5-oxocyclopentyl)heptanoate
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| Structure |
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| Formula |
C26H38O4
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| Molecular Weight |
414.586
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| Canonical SMILES |
COC(=O)CCCCCC[C@H]1C(=O)CC[C@@H]1c1ccc(C(O)C2CCCCC2)cc1
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| InChI |
InChI=1S/C26H38O4/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/h13-16,20,22-23,26,29H,2-12,17-18H2,1H3/t22-,23-,26?/m1/s1
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| InChIKey |
VOOPDGBFFAQNPE-JIISWEIGSA-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