General Information of the Compound
| Compound ID |
CP0448302
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| Compound Name |
4-(2-{(1R,2R,3R,5R)-5-Fluoro-3-hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-methoxymethyl-phenyl)-but-1-enyl]-cyclopentyl}-ethylsulfanyl)-butyric acid
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| Structure |
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| Formula |
C23H33FO5S
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| Molecular Weight |
440.577
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| Canonical SMILES |
COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](F)[C@@H]2CCSCCCC(O)=O)c1
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| InChI |
InChI=1S/C23H33FO5S/c1-29-15-17-5-2-4-16(12-17)13-18(25)7-8-20-19(21(24)14-22(20)26)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-22,25-26H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-,22-/m1/s1
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| InChIKey |
IZHJCSHFOPUFEW-WJLXUBJISA-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