General Information of the Compound
| Compound ID |
CP0450782
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| Compound Name |
2-[2-[(1R,5R)-2-oxo-5-[(E,4S)-7,7,7-trifluoro-4-hydroxy-4-methylhept-1-enyl]cyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C19H24F3NO4S2
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| Molecular Weight |
451.532
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| Canonical SMILES |
C[C@](O)(CCC(F)(F)F)C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C19H24F3NO4S2/c1-18(27,8-9-19(20,21)22)7-2-3-12-4-5-15(24)13(12)6-10-28-17-23-14(11-29-17)16(25)26/h2-3,11-13,27H,4-10H2,1H3,(H,25,26)/b3-2+/t12-,13+,18+/m0/s1
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| InChIKey |
WQXORXCPXXDTAR-CMPKWODGSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype