General Information of the Compound
| Compound ID |
CP0093216
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| Compound Name |
3-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)methoxy)benzoic acid
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| Structure |
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| Formula |
C27H19Cl2F3N2O5
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| Molecular Weight |
579.358
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| Canonical SMILES |
OC(=O)c1cccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)c1
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| InChI |
InChI=1S/C27H19Cl2F3N2O5/c28-19-5-2-6-20(29)22(19)23-18(24(39-34-23)14-7-8-14)13-38-21-10-9-16(25(33-21)27(30,31)32)12-37-17-4-1-3-15(11-17)26(35)36/h1-6,9-11,14H,7-8,12-13H2,(H,35,36)
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| InChIKey |
IFROONJBMYIHFK-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