General Information of the Compound
| Compound ID |
CP0497138
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| Compound Name |
1-[4-[[2-[(dimethylamino)methyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C23H19F5N6O2
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| Molecular Weight |
506.435
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| Canonical SMILES |
CN(C)Cc1nc2c(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c(F)c3)ccnc2[nH]1
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| InChI |
InChI=1S/C23H19F5N6O2/c1-34(2)11-19-32-20-18(7-8-29-21(20)33-19)36-13-4-6-16(15(25)10-13)30-22(35)31-17-9-12(23(26,27)28)3-5-14(17)24/h3-10H,11H2,1-2H3,(H,29,32,33)(H2,30,31,35)
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| InChIKey |
HAHVGUBMSYWFDN-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