General Information of the Compound
| Compound ID |
CP0847243
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| Compound Name |
5-{(R)-1-[4-(1-Hydroxy-heptyl)-phenyl]-5-oxo-pyrrolidin-2-ylmethoxymethyl}-thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C24H31NO5S
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| Molecular Weight |
445.581
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| Canonical SMILES |
CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1
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| InChI |
InChI=1S/C24H31NO5S/c1-2-3-4-5-6-21(26)17-7-9-18(10-8-17)25-19(11-14-23(25)27)15-30-16-20-12-13-22(31-20)24(28)29/h7-10,12-13,19,21,26H,2-6,11,14-16H2,1H3,(H,28,29)/t19-,21?/m1/s1
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| InChIKey |
OGLYLZSRSCUDKX-YMBRHYMPSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Cell-based Assay
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype