General Information of the Compound
| Compound ID |
CP0489158
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| Compound Name |
1-[2-[[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C26H27F3N4O3
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| Molecular Weight |
500.521
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| Canonical SMILES |
CC(C)CN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C26H27F3N4O3/c1-17(2)15-33-14-12-21-18(16-33)5-3-7-23(21)35-24-22(6-4-13-30-24)32-25(34)31-19-8-10-20(11-9-19)36-26(27,28)29/h3-11,13,17H,12,14-16H2,1-2H3,(H2,31,32,34)
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| InChIKey |
WCFRBYYXLPOTLD-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