General Information of the Compound
| Compound ID |
CP0288386
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| Compound Name |
4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)carbamoyl)benzoic acid
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| Structure |
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| Formula |
C28H22Cl2F3N3O5
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| Molecular Weight |
608.4
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C28H22Cl2F3N3O5/c1-14(2)24-17(23(35-41-24)22-18(29)5-4-6-19(22)30)13-40-21-12-11-20(25(34-21)28(31,32)33)36(3)26(37)15-7-9-16(10-8-15)27(38)39/h4-12,14H,13H2,1-3H3,(H,38,39)
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| InChIKey |
MHFIPIQOSXOQOO-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