General Information of the Compound
| Compound ID |
CP0403849
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| Compound Name |
(3-{(1R,2S,3R)-2-[(E)-(S)-4-(3-Ethoxymethyl-phenyl)-3-hydroxy-but-1-enyl]-3-hydroxy-5-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid
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| Structure |
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| Formula |
C23H32O6S2
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| Molecular Weight |
468.637
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| Canonical SMILES |
CCOCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1
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| InChI |
InChI=1S/C23H32O6S2/c1-2-29-14-17-6-3-5-16(11-17)12-18(24)7-8-19-20(25)13-21(26)23(19)31-10-4-9-30-15-22(27)28/h3,5-8,11,18-20,23-25H,2,4,9-10,12-15H2,1H3,(H,27,28)/b8-7+/t18-,19+,20-,23-/m1/s1
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| InChIKey |
KSPWVOZYNMKFCC-FYHHZQEOSA-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