General Information of the Compound
| Compound ID |
CP0093212
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| Compound Name |
4-(6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-ylcarbamoyl)benzoic acid
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| Structure |
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| Formula |
C27H20Cl2F3N3O5
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| Molecular Weight |
594.373
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(NC(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C27H20Cl2F3N3O5/c1-13(2)23-16(22(35-40-23)21-17(28)4-3-5-18(21)29)12-39-20-11-10-19(24(34-20)27(30,31)32)33-25(36)14-6-8-15(9-7-14)26(37)38/h3-11,13H,12H2,1-2H3,(H,33,36)(H,37,38)
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| InChIKey |
YNXMROBGLVIHQA-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