General Information of the Compound
| Compound ID |
CP0401560
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| Compound Name |
7-[[4-(4,5-difluoro-2-methylphenyl)phenoxy]methyl]-2-methyl-1H-indazol-3-one
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| Structure |
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| Formula |
C22H18F2N2O2
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| Molecular Weight |
380.394
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| Canonical SMILES |
Cc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(C)c3=O)cc1
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| InChI |
InChI=1S/C22H18F2N2O2/c1-13-10-19(23)20(24)11-18(13)14-6-8-16(9-7-14)28-12-15-4-3-5-17-21(15)25-26(2)22(17)27/h3-11,25H,12H2,1-2H3
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| InChIKey |
RQVGGDNYFKCMFU-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