General Information of the Compound
| Compound ID |
CP0455381
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| Compound Name |
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-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 |
C20H12ClF4N5O3
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| Molecular Weight |
481.793
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| Canonical SMILES |
Fc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H12ClF4N5O3/c21-12-3-1-9(7-11(12)20(23,24)25)27-18(31)28-14-4-2-10(8-13(14)22)33-15-5-6-26-17-16(15)29-19(32)30-17/h1-8H,(H2,27,28,31)(H2,26,29,30,32)
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| InChIKey |
XQRRQHCJEABQOH-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