General Information of the Compound
| Compound ID |
CP0474029
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| Compound Name |
2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C23H25F3N2O5S2
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| Molecular Weight |
530.59
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| Canonical SMILES |
O[C@@H](Cc1cccc(COCC(F)(F)F)c1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C23H25F3N2O5S2/c24-23(25,26)14-33-12-16-3-1-2-15(10-16)11-18(29)6-4-17-5-7-20(30)28(17)8-9-34-22-27-19(13-35-22)21(31)32/h1-4,6,10,13,17-18,29H,5,7-9,11-12,14H2,(H,31,32)/b6-4+/t17-,18+/m0/s1
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| InChIKey |
JMAXYFWZAXLUMC-UKZKYTFVSA-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