General Information of the Compound
| Compound ID |
CP0388032
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| Compound Name |
4-[2-[(4S)-4-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-2-oxo-1,3-thiazolidin-3-yl]ethylsulfanyl]butanoic acid
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| Structure |
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| Formula |
C19H25NO4S2
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| Molecular Weight |
395.546
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| Canonical SMILES |
O[C@@H](Cc1ccccc1)\C=C\[C@H]1CSC(=O)N1CCSCCCC(O)=O
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| InChI |
InChI=1S/C19H25NO4S2/c21-17(13-15-5-2-1-3-6-15)9-8-16-14-26-19(24)20(16)10-12-25-11-4-7-18(22)23/h1-3,5-6,8-9,16-17,21H,4,7,10-14H2,(H,22,23)/b9-8+/t16-,17+/m0/s1
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| InChIKey |
CRRKEJYWVKHLIJ-IBHATUTGSA-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: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype