General Information of the Compound
| Compound ID |
CP0428991
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| Compound Name |
7-{(1R,2R,3R,5S)-2-[(R)-5-(3-Ethyl-phenyl)-3-hydroxy-pentyl]-3,5-dihydroxy-cyclopentyl}-heptanoic acid
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| Structure |
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| Formula |
C25H40O5
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| Molecular Weight |
420.59
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| Canonical SMILES |
CCc1cccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(O)=O)c1
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| InChI |
InChI=1S/C25H40O5/c1-2-18-8-7-9-19(16-18)12-13-20(26)14-15-22-21(23(27)17-24(22)28)10-5-3-4-6-11-25(29)30/h7-9,16,20-24,26-28H,2-6,10-15,17H2,1H3,(H,29,30)/t20-,21+,22+,23-,24+/m0/s1
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| InChIKey |
SFYIMOUYRJPZOY-UDIRQSBCSA-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