General Information of the Compound
| Compound ID |
CP0463502
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| Compound Name |
4-[2-[(4S)-4-[(E,3S)-3-hydroxy-4-(3-phenylphenyl)but-1-enyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoic acid
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| Structure |
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| Formula |
C25H29NO5S
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| Molecular Weight |
455.576
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| Canonical SMILES |
O[C@@H](Cc1cccc(c1)-c1ccccc1)\C=C\[C@H]1COC(=O)N1CCSCCCC(O)=O
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| InChI |
InChI=1S/C25H29NO5S/c27-23(17-19-6-4-9-21(16-19)20-7-2-1-3-8-20)12-11-22-18-31-25(30)26(22)13-15-32-14-5-10-24(28)29/h1-4,6-9,11-12,16,22-23,27H,5,10,13-15,17-18H2,(H,28,29)/b12-11+/t22-,23+/m0/s1
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| InChIKey |
YHJBLRWHDZKBEA-WANHOSFCSA-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: PT04548, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype