General Information of the Compound
| Compound ID |
CP0505993
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| Compound Name |
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C21H14ClF4N5O3
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| Molecular Weight |
495.82
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| Canonical SMILES |
Cn1c2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c(F)c3)ccnc2[nH]c1=O
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| InChI |
InChI=1S/C21H14ClF4N5O3/c1-31-17-16(6-7-27-18(17)30-20(31)33)34-11-3-5-15(14(23)9-11)29-19(32)28-10-2-4-13(22)12(8-10)21(24,25)26/h2-9H,1H3,(H,27,30,33)(H2,28,29,32)
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| InChIKey |
RATCYQKDLOBADC-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