General Information of the Compound
| Compound ID |
CP0572996
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| Compound Name |
2-[[[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-yl]-methylamino]methyl]-3-methylimidazole-4-carboxylic acid
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| Structure |
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| Formula |
C26H24Cl2F3N5O3S
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| Molecular Weight |
614.477
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| Canonical SMILES |
CC(C)c1snc(c1COc1ccc(N(C)Cc2ncc(C(O)=O)n2C)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C26H24Cl2F3N5O3S/c1-13(2)23-14(22(34-40-23)21-15(27)6-5-7-16(21)28)12-39-20-9-8-17(24(33-20)26(29,30)31)35(3)11-19-32-10-18(25(37)38)36(19)4/h5-10,13H,11-12H2,1-4H3,(H,37,38)
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| InChIKey |
MYRJDELSOCVAJU-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