General Information of the Compound
| Compound ID |
CP0415586
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| Compound Name |
2-[2-[(1R,2R)-2-[(E,4S)-5-cyclopentyl-4-hydroxy-4-methylpent-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C22H31NO4S2
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| Molecular Weight |
437.627
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| Canonical SMILES |
C[C@@](O)(C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O)CC1CCCC1
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| InChI |
InChI=1S/C22H31NO4S2/c1-22(27,13-15-5-2-3-6-15)11-4-7-16-8-9-19(24)17(16)10-12-28-21-23-18(14-29-21)20(25)26/h4,7,14-17,27H,2-3,5-6,8-13H2,1H3,(H,25,26)/b7-4+/t16-,17+,22+/m0/s1
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| InChIKey |
QLFMORYXGWIMQM-DRLTZOBCSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype