General Information of the Compound
| Compound ID |
CP0182637
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| Compound Name |
2-[2-[(4S)-4-[(E,3R)-3-[1-(4-fluorobutyl)cyclobutyl]-3-hydroxyprop-1-enyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C20H27FN2O5S2
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| Molecular Weight |
458.577
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| Canonical SMILES |
O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1
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| InChI |
InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1
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| InChIKey |
URMNVJYXANRVOF-WIJLQKJISA-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