General Information of the Compound
| Compound ID |
CP0446135
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| Compound Name |
3-[(3S,5aR,6R,7R,8aS)-7-hydroxy-6-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]propanoic acid
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| Structure |
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| Formula |
C22H30O6
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| Molecular Weight |
390.476
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| Canonical SMILES |
O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@@H]2OC[C@H](CCC(O)=O)CC[C@H]12
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| InChI |
InChI=1S/C22H30O6/c23-16(14-27-17-4-2-1-3-5-17)8-10-18-19-9-6-15(7-11-22(25)26)13-28-21(19)12-20(18)24/h1-5,8,10,15-16,18-21,23-24H,6-7,9,11-14H2,(H,25,26)/b10-8+/t15-,16+,18+,19+,20+,21-/m0/s1
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| InChIKey |
IYVIISGTDLLJJD-UWXHIMLYSA-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