General Information of the Compound
| Compound ID |
CP0863699
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| Compound Name |
methyl 7-((1R,2S)-2-(4-(1-hydroxyhexyl)phenyl)-5-oxocyclopentyl)hept-5-enoate
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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 |
CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OC)cc1
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| InChI |
InChI=1S/C25H36O4/c1-3-4-7-11-23(26)20-15-13-19(14-16-20)21-17-18-24(27)22(21)10-8-5-6-9-12-25(28)29-2/h5,8,13-16,21-23,26H,3-4,6-7,9-12,17-18H2,1-2H3/b8-5-/t21-,22-,23?/m1/s1
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| InChIKey |
OHMVJJMZDOQADS-LPDFSBNLSA-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: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype