General Information of the Compound
| Compound ID |
CP0847322
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| Compound Name |
2-{(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(1E)-5-phenoxy-1-penten-1-yl]octahydrocyclopenta[b]pyran-2-yl}-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C23H27NO5S
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| Molecular Weight |
429.538
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| Canonical SMILES |
O=C(O)c1csc([C@H]2CC[C@@H]3[C@@H](/C=C/CCCOc4ccccc4)[C@H](O)C[C@@H]3O2)n1
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| InChI |
InChI=1S/C23H27NO5S/c25-19-13-21-17(10-11-20(29-21)22-24-18(14-30-22)23(26)27)16(19)9-5-2-6-12-28-15-7-3-1-4-8-15/h1,3-5,7-9,14,16-17,19-21,25H,2,6,10-13H2,(H,26,27)/b9-5+/t16-,17-,19-,20-,21+/m1/s1
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| InChIKey |
OACWFSQWEUEBBE-HYXNAZNSSA-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT01823, Prostaglandin F2-alpha receptor