General Information of the Compound
| Compound ID |
CP0388031
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| Compound Name |
7-[(2R)-2-[(E,3S)-4-(3-fluorophenyl)-3-hydroxybut-1-enyl]-5-sulfanylidenepyrrolidin-1-yl]heptanoic acid
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| Structure |
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| Formula |
C21H28FNO3S
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| Molecular Weight |
393.524
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| Canonical SMILES |
O[C@@H](Cc1cccc(F)c1)\C=C\[C@H]1CCC(=S)N1CCCCCCC(O)=O
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| InChI |
InChI=1S/C21H28FNO3S/c22-17-7-5-6-16(14-17)15-19(24)11-9-18-10-12-20(27)23(18)13-4-2-1-3-8-21(25)26/h5-7,9,11,14,18-19,24H,1-4,8,10,12-13,15H2,(H,25,26)/b11-9+/t18-,19+/m0/s1
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| InChIKey |
XIYJUZDXEOVVOG-AYLUNBTKSA-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