General Information of the Compound
| Compound ID |
CP0406251
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| Compound Name |
3-{(S)-3-[(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopentyl]-propylsulfanyl}-propionic acid
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| Structure |
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| Formula |
C19H32O5S
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| Molecular Weight |
372.527
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| Canonical SMILES |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(O)=O
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| InChI |
InChI=1S/C19H32O5S/c1-2-3-4-6-14(20)8-9-16-15(17(21)13-18(16)22)7-5-11-25-12-10-19(23)24/h8-9,14-16,18,20,22H,2-7,10-13H2,1H3,(H,23,24)/b9-8+/t14-,15+,16+,18+/m0/s1
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| InChIKey |
GEGZUKCXRBOEAP-MAEOAUKBSA-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