General Information of the Compound
| Compound ID |
CP0431858
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| Compound Name |
5-(3-((S)-2-(3-hydroxy-4-(naphthalen-2-yl)butyl)-5-oxopyrrolidin-1-yl)propyl)thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C26H29NO4S
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| Molecular Weight |
451.588
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| Canonical SMILES |
OC(CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1ccc2ccccc2c1
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| InChI |
InChI=1S/C26H29NO4S/c28-22(17-18-7-8-19-4-1-2-5-20(19)16-18)11-9-21-10-14-25(29)27(21)15-3-6-23-12-13-24(32-23)26(30)31/h1-2,4-5,7-8,12-13,16,21-22,28H,3,6,9-11,14-15,17H2,(H,30,31)/t21-,22?/m0/s1
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| InChIKey |
XMZZINOBVHKJPS-HMTLIYDFSA-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