General Information of the Compound
| Compound ID |
CP0415588
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| Compound Name |
2-[2-[(4S)-4-[(E)-5-cyclohexyl-4-hydroxy-4-methylpent-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 |
C21H30N2O5S2
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| Molecular Weight |
454.614
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| Canonical SMILES |
CC(O)(C\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)CC1CCCCC1
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| InChI |
InChI=1S/C21H30N2O5S2/c1-21(27,12-15-6-3-2-4-7-15)9-5-8-16-13-28-20(26)23(16)10-11-29-19-22-17(14-30-19)18(24)25/h5,8,14-16,27H,2-4,6-7,9-13H2,1H3,(H,24,25)/b8-5+/t16-,21?/m0/s1
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| InChIKey |
ZJPPBOPPXGYNJO-PCEFODJASA-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