General Information of the Compound
| Compound ID |
CP0375458
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| Compound Name |
7-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-2-(4-fluorophenyl)-1H-indazol-3-one
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| Structure |
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| Formula |
C27H19F3N2O3
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| Molecular Weight |
476.454
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| Canonical SMILES |
COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(-c2ccc(F)cc2)c3=O)cc1
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| InChI |
InChI=1S/C27H19F3N2O3/c1-34-25-14-24(30)23(29)13-22(25)16-5-11-20(12-6-16)35-15-17-3-2-4-21-26(17)31-32(27(21)33)19-9-7-18(28)8-10-19/h2-14,31H,15H2,1H3
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| InChIKey |
YHHCWMFXAPBEKN-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