General Information of the Compound
| Compound ID |
CP0899422
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| Compound Name |
methyl 7-((1R,2S,3R)-2-(4-(cyclohexyl(hydroxy)methyl)phenyl)-3-hydroxy-5-oxocyclopentyl)hept-5-enoate
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| Structure |
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| Formula |
C26H36O5
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| Molecular Weight |
428.569
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| Canonical SMILES |
COC(=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/C26H36O5/c1-31-24(29)12-8-3-2-7-11-21-22(27)17-23(28)25(21)18-13-15-20(16-14-18)26(30)19-9-5-4-6-10-19/h2,7,13-16,19,21,23,25-26,28,30H,3-6,8-12,17H2,1H3/b7-2-/t21-,23+,25+,26?/m0/s1
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| InChIKey |
HVQPCSIKQMRYAQ-HBLLDXLXSA-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: PT01534, Prostaglandin E2 receptor EP4 subtype