General Information of the Compound
| Compound ID |
CP0449883
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| Compound Name |
7-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-2-methyl-1H-indazol-3-one
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| Structure |
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| Formula |
C22H18F2N2O3
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| Molecular Weight |
396.393
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| Canonical SMILES |
COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(C)c3=O)cc1
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| InChI |
InChI=1S/C22H18F2N2O3/c1-26-22(27)16-5-3-4-14(21(16)25-26)12-29-15-8-6-13(7-9-15)17-10-18(23)19(24)11-20(17)28-2/h3-11,25H,12H2,1-2H3
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| InChIKey |
DMLIRYZFFKGTRV-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