General Information of the Compound
| Compound ID |
CP0381675
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| Compound Name |
2-[2-[[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]methylsulfanyl]ethylsulfanyl]acetic acid
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| Structure |
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| Formula |
C18H30O5S2
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| Molecular Weight |
390.567
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| Canonical SMILES |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCSCC(O)=O
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| InChI |
InChI=1S/C18H30O5S2/c1-2-3-4-5-13(19)6-7-14-15(17(21)10-16(14)20)11-24-8-9-25-12-18(22)23/h6-7,13-16,19-20H,2-5,8-12H2,1H3,(H,22,23)/b7-6+/t13-,14+,15+,16+/m0/s1
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| InChIKey |
TYOKLUCZRWRWLV-BRDXMMLSSA-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: PT02279, Prostacyclin receptor
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