General Information of the Compound
| Compound ID |
CP0381808
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| Compound Name |
2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
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| Structure |
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| Formula |
C20H26O5S2
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| Molecular Weight |
410.557
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| Canonical SMILES |
O[C@@H](Cc1ccccc1)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(O)=O
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| InChI |
InChI=1S/C20H26O5S2/c21-15(11-14-5-2-1-3-6-14)7-8-16-17(22)12-18(23)20(16)27-10-4-9-26-13-19(24)25/h1-3,5-8,15-17,20-22H,4,9-13H2,(H,24,25)/b8-7+/t15-,16+,17-,20-/m1/s1
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| InChIKey |
NEWBNFQOFWWYHJ-ZMCLOISQSA-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