General Information of the Compound
| Compound ID |
CP0870239
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| Compound Name |
5-(3-((1R,2S)-2-(4-(1-hydroxyhexyl)phenyl)-5-oxocyclopentyl)propyl)thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C25H32O4S
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| Molecular Weight |
428.594
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| Canonical SMILES |
CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCc2ccc(C(=O)O)s2)cc1
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| InChI |
InChI=1S/C25H32O4S/c1-2-3-4-8-22(26)18-11-9-17(10-12-18)20-14-15-23(27)21(20)7-5-6-19-13-16-24(30-19)25(28)29/h9-13,16,20-22,26H,2-8,14-15H2,1H3,(H,28,29)/t20-,21-,22?/m1/s1
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| InChIKey |
BKEIZHJYCQKMOM-JAZPPYFYSA-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
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype