General Information of the Compound
| Compound ID |
CP0381345
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| Compound Name |
3-{4-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo-pyrrolidin-1-yl]-butylsulfanyl}-propionic acid
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| Structure |
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| Formula |
C21H29NO4S
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| Molecular Weight |
391.533
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| Canonical SMILES |
OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCSCCC(O)=O
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| InChI |
InChI=1S/C21H29NO4S/c23-19(16-17-6-2-1-3-7-17)10-8-18-9-11-20(24)22(18)13-4-5-14-27-15-12-21(25)26/h1-3,6-8,10,18-19,23H,4-5,9,11-16H2,(H,25,26)/b10-8+/t18-,19?/m0/s1
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| InChIKey |
GYDHQUSXESKSIV-FCRBFTOGSA-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT01823, Prostaglandin F2-alpha receptor
Protein ID: PT01819, Thromboxane A2 receptor