General Information of the Compound
| Compound ID |
CP0444744
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| Compound Name |
2-[[4-(difluoromethoxy)phenyl]-(2-fluorophenyl)-hydroxymethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
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| Formula |
C28H26F3N7O4
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| Molecular Weight |
581.555
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| Canonical SMILES |
CCn1cnc(NC(=O)c2cc3n(CC)c(nc3nc2OC)C(O)(c2ccc(OC(F)F)cc2)c2ccccc2F)n1
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| InChI |
InChI=1S/C28H26F3N7O4/c1-4-37-15-32-27(36-37)35-23(39)18-14-21-22(33-24(18)41-3)34-25(38(21)5-2)28(40,19-8-6-7-9-20(19)29)16-10-12-17(13-11-16)42-26(30)31/h6-15,26,40H,4-5H2,1-3H3,(H,35,36,39)
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| InChIKey |
FBWCQYAZODUEFO-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