General Information of the Compound
| Compound ID |
CP0917374
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| Compound Name |
7-(3-(3-(Trifluoromethoxy)benzylamino)phenoxy)-1H-imidazo[4,5-b]pyridin-2(3H)-one
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| Structure |
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| Formula |
C21H15F3N2O3
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| Molecular Weight |
400.356
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| Canonical SMILES |
O=c1[nH]c2cccc(Oc3cccc(Cc4cccc(OC(F)(F)F)c4)c3)c2[nH]1
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| InChI |
InChI=1S/C21H15F3N2O3/c22-21(23,24)29-16-7-2-5-14(12-16)10-13-4-1-6-15(11-13)28-18-9-3-8-17-19(18)26-20(27)25-17/h1-9,11-12H,10H2,(H2,25,26,27)
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| InChIKey |
BYSASSLHMUBEAA-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