General Information of the Compound
| Compound ID |
CP0847318
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| Compound Name |
2-{(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(1E)-3-phenoxy-1-propen-1-yl]octahydrocyclopenta[b]pyran-2-yl}-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C21H23NO5S
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| Molecular Weight |
401.484
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| Canonical SMILES |
O=C(O)c1csc([C@H]2CC[C@@H]3[C@@H](/C=C/COc4ccccc4)[C@H](O)C[C@@H]3O2)n1
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| InChI |
InChI=1S/C21H23NO5S/c23-17-11-19-15(14(17)7-4-10-26-13-5-2-1-3-6-13)8-9-18(27-19)20-22-16(12-28-20)21(24)25/h1-7,12,14-15,17-19,23H,8-11H2,(H,24,25)/b7-4+/t14-,15-,17-,18-,19+/m1/s1
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| InChIKey |
YMDRBQRLLNYQNG-NRUVFZJOSA-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