General Information of the Compound
| Compound ID |
CP0418279
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| Compound Name |
US9394273, 7
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| Structure |
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| Formula |
C24H25ClO4
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| Molecular Weight |
412.913
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| Canonical SMILES |
OC(Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H25ClO4/c25-20-3-1-2-17(14-20)15-21(26)11-9-18-10-13-23(27)22(18)12-6-16-4-7-19(8-5-16)24(28)29/h1-5,7-9,11,14,18,21-22,26H,6,10,12-13,15H2,(H,28,29)/b11-9+/t18-,21?,22+/m0/s1
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| InChIKey |
YQAHEMJLXLEJPE-FSKZSRKQSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype