General Information of the Compound
| Compound ID |
CP0466411
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| Compound Name |
6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)pyrido[3,2-c]pyridazin-3-one
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| Structure |
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| Formula |
C24H17F4N3O4
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| Molecular Weight |
487.409
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| Canonical SMILES |
FC(F)COc1ccc2nn(-c3ccc4OCCc4c3)c(=O)c(-c3ccc(OC(F)F)cc3)c2n1
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| InChI |
InChI=1S/C24H17F4N3O4/c25-19(26)12-34-20-8-6-17-22(29-20)21(13-1-4-16(5-2-13)35-24(27)28)23(32)31(30-17)15-3-7-18-14(11-15)9-10-33-18/h1-8,11,19,24H,9-10,12H2
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| InChIKey |
YKLQUJZBKBKRBU-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