General Information of the Compound
| Compound ID |
CP0083528
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| Compound Name |
2-(6-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methoxy)benzofuran-3-yl)acetic acid
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| Structure |
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| Formula |
C21H14F3NO5
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| Molecular Weight |
417.339
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| Canonical SMILES |
OC(=O)Cc1coc2cc(OCc3cc(on3)-c3ccc(cc3)C(F)(F)F)ccc12
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| InChI |
InChI=1S/C21H14F3NO5/c22-21(23,24)14-3-1-12(2-4-14)18-8-15(25-30-18)11-28-16-5-6-17-13(7-20(26)27)10-29-19(17)9-16/h1-6,8-10H,7,11H2,(H,26,27)
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| InChIKey |
ABYFOELKELEOKM-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