General Information of the Compound
| Compound ID |
CP0407876
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| Compound Name |
2-[2-[(4S,5S)-4-[(E)-5-cyclohexyl-4-hydroxy-4-methylpent-1-enyl]-5-methyl-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C22H32N2O5S2
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| Molecular Weight |
468.641
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| Canonical SMILES |
C[C@@H]1OC(=O)N(CCSc2nc(cs2)C(O)=O)[C@H]1\C=C\CC(C)(O)CC1CCCCC1
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| InChI |
InChI=1S/C22H32N2O5S2/c1-15-18(9-6-10-22(2,28)13-16-7-4-3-5-8-16)24(21(27)29-15)11-12-30-20-23-17(14-31-20)19(25)26/h6,9,14-16,18,28H,3-5,7-8,10-13H2,1-2H3,(H,25,26)/b9-6+/t15-,18-,22?/m0/s1
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| InChIKey |
VDUNEFVYKGXIEE-MOAPDNCFSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype