General Information of the Compound
| Compound ID |
CP0378146
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| Compound Name |
4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(3-pyridin-2-ylphenyl)but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid
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| Structure |
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| Formula |
C25H30N2O4S
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| Molecular Weight |
454.592
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| Canonical SMILES |
O[C@@H](Cc1cccc(c1)-c1ccccn1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O
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| InChI |
InChI=1S/C25H30N2O4S/c28-22(18-19-5-3-6-20(17-19)23-7-1-2-13-26-23)11-9-21-10-12-24(29)27(21)14-16-32-15-4-8-25(30)31/h1-3,5-7,9,11,13,17,21-22,28H,4,8,10,12,14-16,18H2,(H,30,31)/b11-9+/t21-,22+/m0/s1
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| InChIKey |
KPLWANAFZOCKMN-JEUBMUGFSA-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