General Information of the Compound
| Compound ID |
CP0866253
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| Compound Name |
N-ethyl-7-((1R,2S,3R)-3-hydroxy-2-(3-(hydroxy(1-propylcyclobutyl)methyl)phenyl)-5-oxocyclopentyl)hept-5-enamide
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| Structure |
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| Formula |
C26H37NO4
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| Molecular Weight |
427.585
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| Canonical SMILES |
CCCC1(C(O)c2cccc([C@H]3[C@H](O)CC(=O)[C@@H]3C/C=C\CCCC(N)=O)c2)CCC1
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| InChI |
InChI=1S/C26H37NO4/c1-2-13-26(14-8-15-26)25(31)19-10-7-9-18(16-19)24-20(21(28)17-22(24)29)11-5-3-4-6-12-23(27)30/h3,5,7,9-10,16,20,22,24-25,29,31H,2,4,6,8,11-15,17H2,1H3,(H2,27,30)/b5-3-/t20-,22+,24+,25?/m0/s1
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| InChIKey |
NOGPDBOZYMZSFJ-NAENYJNXSA-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