General Information of the Compound
| Compound ID |
CP0445548
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| Compound Name |
5-(3-((S)-2-(4-(4-ethylphenyl)-3-hydroxybutyl)-5-oxopyrrolidin-1-yl)propyl)thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C24H31NO4S
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| Molecular Weight |
429.582
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| Canonical SMILES |
CCc1ccc(CC(O)CC[C@H]2CCC(=O)N2CCCc2ccc(s2)C(O)=O)cc1
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| InChI |
InChI=1S/C24H31NO4S/c1-2-17-5-7-18(8-6-17)16-20(26)11-9-19-10-14-23(27)25(19)15-3-4-21-12-13-22(30-21)24(28)29/h5-8,12-13,19-20,26H,2-4,9-11,14-16H2,1H3,(H,28,29)/t19-,20?/m0/s1
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| InChIKey |
HGNFVFHSIKQWQB-XJDOXCRVSA-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: PT05828, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype