General Information of the Compound
| Compound ID |
CP0491638
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| Compound Name |
2-methyl-7-[[4-(2,4,5-trifluorophenyl)phenoxy]methyl]-1H-indazol-3-one
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| Structure |
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| Formula |
C21H15F3N2O2
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| Molecular Weight |
384.357
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| Canonical SMILES |
Cn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3F)cccc2c1=O
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| InChI |
InChI=1S/C21H15F3N2O2/c1-26-21(27)15-4-2-3-13(20(15)25-26)11-28-14-7-5-12(6-8-14)16-9-18(23)19(24)10-17(16)22/h2-10,25H,11H2,1H3
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| InChIKey |
MAHFCXHYMWHYNQ-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