General Information of the Compound
| Compound ID |
CP0089845
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| Compound Name |
4-[(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]butanoic acid
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| Structure |
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| Formula |
C23H32O6
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| Molecular Weight |
404.503
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| Canonical SMILES |
O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@@H]2OC[C@@H](CCCC(O)=O)CC[C@H]12
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| InChI |
InChI=1S/C23H32O6/c24-17(15-28-18-6-2-1-3-7-18)10-12-19-20-11-9-16(5-4-8-23(26)27)14-29-22(20)13-21(19)25/h1-3,6-7,10,12,16-17,19-22,24-25H,4-5,8-9,11,13-15H2,(H,26,27)/b12-10+/t16-,17+,19+,20+,21+,22-/m0/s1
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| InChIKey |
JBWVPQXSFRGWCV-HJGWJQNWSA-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