General Information of the Compound
| Compound ID |
CP0406253
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| Compound Name |
2-[4-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]butylsulfanyl]acetic 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]1CCCCSCC(O)=O
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| InChI |
InChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-16-15(17(21)12-18(16)22)8-5-6-11-25-13-19(23)24/h9-10,14-16,18,20,22H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,18+/m0/s1
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| InChIKey |
HZBQZRYBXKBYMJ-OMNKJVMTSA-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