General Information of the Compound
| Compound ID |
CP0456656
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| Compound Name |
2-[3-[[4-(1,3-benzodioxol-2-ylmethoxy)-2,6-dimethylbenzoyl]amino]-4-chlorophenyl]acetic acid
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| Structure |
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| Formula |
C25H22ClNO6
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| Molecular Weight |
467.905
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| Canonical SMILES |
Cc1cc(OCC2Oc3ccccc3O2)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl
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| InChI |
InChI=1S/C25H22ClNO6/c1-14-9-17(31-13-23-32-20-5-3-4-6-21(20)33-23)10-15(2)24(14)25(30)27-19-11-16(12-22(28)29)7-8-18(19)26/h3-11,23H,12-13H2,1-2H3,(H,27,30)(H,28,29)
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| InChIKey |
XSFZHYKNQFWKCB-UHFFFAOYSA-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: PT02987, Prostaglandin D2 receptor