General Information of the Compound
| Compound ID |
CP0038951
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| Compound Name |
4-(2-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrrolidin-1-yl)ethylthio)butanoic acid
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| Structure |
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| Formula |
C18H31NO4S
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| Molecular Weight |
357.516
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| Canonical SMILES |
CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O
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| InChI |
InChI=1S/C18H31NO4S/c1-2-3-4-6-16(20)10-8-15-9-11-17(21)19(15)12-14-24-13-5-7-18(22)23/h8,10,15-16,20H,2-7,9,11-14H2,1H3,(H,22,23)/b10-8+/t15-,16-/m0/s1
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| InChIKey |
LDTVAEAOOFGOEC-OZVGAOPWSA-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: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype