General Information of the Compound
| Compound ID |
CP0504008
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| Compound Name |
1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
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| Structure |
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| Formula |
C28H23F3N6O4
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| Molecular Weight |
564.524
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)c1
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| InChI |
InChI=1S/C28H23F3N6O4/c29-28(30,31)16-5-7-21(37-11-13-40-14-12-37)20(15-16)34-26(38)33-19-6-8-22(18-4-2-1-3-17(18)19)41-23-9-10-32-25-24(23)35-27(39)36-25/h1-10,15H,11-14H2,(H2,33,34,38)(H2,32,35,36,39)
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| InChIKey |
DZFSGHUSRGJTTD-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