General Information of the Compound
| Compound ID |
CP0398631
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| Compound Name |
6-[(5aR,6R,7R,8aS)-7-hydroxy-6-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5,5a,6,7,8,8a-hexahydro-2H-cyclopenta[b]oxepin-3-yl]hexanoic acid
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| Structure |
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| Formula |
C25H34O6
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| Molecular Weight |
430.541
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| Canonical SMILES |
O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@@H]2OCC(CCCCCC(O)=O)=CC[C@H]12
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| InChI |
InChI=1S/C25H34O6/c26-19(17-30-20-8-4-2-5-9-20)12-14-21-22-13-11-18(7-3-1-6-10-25(28)29)16-31-24(22)15-23(21)27/h2,4-5,8-9,11-12,14,19,21-24,26-27H,1,3,6-7,10,13,15-17H2,(H,28,29)/b14-12+/t19-,21-,22-,23-,24+/m1/s1
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| InChIKey |
MNMBYWCWGTYZOH-KKFXVKMKSA-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: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01823, Prostaglandin F2-alpha receptor