General Information of the Compound
| Compound ID |
CP0466595
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| Compound Name |
7-{(1R,2R,3R,5S)-2-[(R)-5-(4-Fluoro-phenyl)-3-hydroxy-pentyl]-3,5-dihydroxy-cyclopentyl}-heptanoic acid
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| Structure |
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| Formula |
C23H35FO5
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| Molecular Weight |
410.526
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| Canonical SMILES |
O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CCc1ccc(F)cc1
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| InChI |
InChI=1S/C23H35FO5/c24-17-10-7-16(8-11-17)9-12-18(25)13-14-20-19(21(26)15-22(20)27)5-3-1-2-4-6-23(28)29/h7-8,10-11,18-22,25-27H,1-6,9,12-15H2,(H,28,29)/t18-,19+,20+,21-,22+/m0/s1
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| InChIKey |
BTTDPLCDPXPOEM-AHJNKEMKSA-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01823, Prostaglandin F2-alpha receptor
Protein ID: PT01819, Thromboxane A2 receptor