General Information of the Compound
| Compound ID |
CP0505101
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| Compound Name |
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)-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 |
C22H18ClF3N6O3
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| Molecular Weight |
506.872
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| Canonical SMILES |
CN(C)c1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H18ClF3N6O3/c1-32(2)16-10-12(35-17-7-8-27-19-18(17)30-21(34)31-19)4-6-15(16)29-20(33)28-11-3-5-14(23)13(9-11)22(24,25)26/h3-10H,1-2H3,(H2,28,29,33)(H2,27,30,31,34)
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| InChIKey |
VWEGIUYDSNCFBC-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