General Information of the Compound
| Compound ID |
CP0866433
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| Compound Name |
7-((1R,2S,3R,5R)-2-(4-tert-butylphenyl)-5-chloro-3-hydroxycyclopentyl)heptanoic acid
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| Structure |
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| Formula |
C22H33ClO3
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| Molecular Weight |
380.956
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| Canonical SMILES |
CC(C)(C)c1ccc([C@@H]2[C@@H](CCCCCCC(=O)O)[C@H](Cl)C[C@H]2O)cc1
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| InChI |
InChI=1S/C22H33ClO3/c1-22(2,3)16-12-10-15(11-13-16)21-17(18(23)14-19(21)24)8-6-4-5-7-9-20(25)26/h10-13,17-19,21,24H,4-9,14H2,1-3H3,(H,25,26)/t17-,18+,19+,21+/m0/s1
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| InChIKey |
VUABBZYGIWUQLU-QEUVDIPISA-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01819, Thromboxane A2 receptor