General Information of the Compound
| Compound ID |
CP0538533
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| Compound Name |
1-[5-tert-butyl-2-(2,4-difluorophenyl)pyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C26H23F2N7O3
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| Molecular Weight |
519.512
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n(n1)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C26H23F2N7O3/c1-26(2,3)20-13-21(35(34-20)18-9-4-14(27)12-17(18)28)31-24(36)30-15-5-7-16(8-6-15)38-19-10-11-29-23-22(19)32-25(37)33-23/h4-13H,1-3H3,(H2,30,31,36)(H2,29,32,33,37)
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| InChIKey |
OFCSPEQKGMEFMB-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