General Information of the Compound
| Compound ID |
CP0284998
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| Compound Name |
2-[3-[2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C27H26F3NO5
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| Molecular Weight |
501.501
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| Canonical SMILES |
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C27H26F3NO5/c1-3-31(26(34)36-17-18-7-5-4-6-8-18)16-20-15-21(27(28,29)30)10-11-22(20)23-13-19(14-25(32)33)9-12-24(23)35-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,32,33)
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| InChIKey |
CUWBXEPNHLJYKS-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: PT01171, Prostaglandin D2 receptor 2