General Information of the Compound
| Compound ID |
CP0407879
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| Compound Name |
2-[2-[(1R,2R)-2-[(E,4S)-4-hydroxy-4,7,7-trimethyloct-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C22H33NO4S2
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| Molecular Weight |
439.643
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| Canonical SMILES |
CC(C)(C)CC[C@](C)(O)C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C22H33NO4S2/c1-21(2,3)11-12-22(4,27)10-5-6-15-7-8-18(24)16(15)9-13-28-20-23-17(14-29-20)19(25)26/h5-6,14-16,27H,7-13H2,1-4H3,(H,25,26)/b6-5+/t15-,16+,22+/m0/s1
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| InChIKey |
XTOIBOMJPCHMGX-LMYACCORSA-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