General Information of the Compound
| Compound ID |
CP0387603
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| Compound Name |
2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C20H22N2O4S2
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| Molecular Weight |
418.54
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| Canonical SMILES |
O[C@@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C20H22N2O4S2/c23-16(12-14-4-2-1-3-5-14)8-6-15-7-9-18(24)22(15)10-11-27-20-21-17(13-28-20)19(25)26/h1-6,8,13,15-16,23H,7,9-12H2,(H,25,26)/b8-6+/t15-,16+/m0/s1
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| InChIKey |
PBPWYKTUFBNANN-BWVNKGDMSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype