General Information of the Compound
| Compound ID |
CP0423860
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| Compound Name |
4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(pyridin-3-ylmethoxy)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid
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| Structure |
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| Formula |
C26H32N2O5S
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| Molecular Weight |
484.618
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| Canonical SMILES |
O[C@@H](Cc1cccc(OCc2cccnc2)c1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O
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| InChI |
InChI=1S/C26H32N2O5S/c29-23(16-20-4-1-6-24(17-20)33-19-21-5-2-12-27-18-21)10-8-22-9-11-25(30)28(22)13-15-34-14-3-7-26(31)32/h1-2,4-6,8,10,12,17-18,22-23,29H,3,7,9,11,13-16,19H2,(H,31,32)/b10-8+/t22-,23+/m0/s1
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| InChIKey |
JSGJBDBGONKGOZ-UCQVOXAISA-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