General Information of the Compound
| Compound ID |
CP0083519
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| Compound Name |
2-(5-(3-((4-(trifluoromethyl)phenoxy)methyl)benzyloxy)-1H-indol-1-yl)acetic acid
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| Structure |
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| Formula |
C25H20F3NO4
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| Molecular Weight |
455.432
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| Canonical SMILES |
OC(=O)Cn1ccc2cc(OCc3cccc(COc4ccc(cc4)C(F)(F)F)c3)ccc12
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| InChI |
InChI=1S/C25H20F3NO4/c26-25(27,28)20-4-6-21(7-5-20)32-15-17-2-1-3-18(12-17)16-33-22-8-9-23-19(13-22)10-11-29(23)14-24(30)31/h1-13H,14-16H2,(H,30,31)
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| InChIKey |
HPRZJTYQTBHRKL-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