General Information of the Compound
| Compound ID |
CP0505992
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| Compound Name |
1-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
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| Structure |
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| Formula |
C25H18F3N5O3S
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| Molecular Weight |
525.512
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| Canonical SMILES |
Cn1c2c(Oc3ccc(NC(=O)Nc4cccc(SC(F)(F)F)c4)c4ccccc34)ccnc2[nH]c1=O
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| InChI |
InChI=1S/C25H18F3N5O3S/c1-33-21-20(11-12-29-22(21)32-24(33)35)36-19-10-9-18(16-7-2-3-8-17(16)19)31-23(34)30-14-5-4-6-15(13-14)37-25(26,27)28/h2-13H,1H3,(H,29,32,35)(H2,30,31,34)
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| InChIKey |
XGLWWRXGTFBUAC-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