General Information of the Compound
| Compound ID |
CP0400839
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| Compound Name |
7-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-sulfanylidenepyrrolidin-1-yl]heptanoic acid
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| Structure |
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| Formula |
C23H33NO4S
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| Molecular Weight |
419.587
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| Canonical SMILES |
COCc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=S)N2CCCCCCC(O)=O)c1
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| InChI |
InChI=1S/C23H33NO4S/c1-28-17-19-8-6-7-18(15-19)16-21(25)12-10-20-11-13-22(29)24(20)14-5-3-2-4-9-23(26)27/h6-8,10,12,15,20-21,25H,2-5,9,11,13-14,16-17H2,1H3,(H,26,27)/b12-10+/t20-,21+/m0/s1
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| InChIKey |
AKRBADWPYNKQNE-RWDVLYHFSA-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