General Information of the Compound
| Compound ID |
CP0852840
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| Compound Name |
7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(3-(hydroxy(1-propylcyclobutyl)methyl)phenyl)cyclopentyl)heptanoic acid
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| Structure |
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| Formula |
C26H39ClO4
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| Molecular Weight |
451.047
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| Canonical SMILES |
CCCC1(C(O)c2cccc([C@@H]3[C@@H](CCCCCCC(=O)O)[C@H](Cl)C[C@H]3O)c2)CCC1
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| InChI |
InChI=1S/C26H39ClO4/c1-2-13-26(14-8-15-26)25(31)19-10-7-9-18(16-19)24-20(21(27)17-22(24)28)11-5-3-4-6-12-23(29)30/h7,9-10,16,20-22,24-25,28,31H,2-6,8,11-15,17H2,1H3,(H,29,30)/t20-,21+,22+,24+,25?/m0/s1
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| InChIKey |
QJVZVQODDFMWMY-BBPSQCEISA-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