General Information of the Compound
| Compound ID |
CP0449882
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| Compound Name |
2-[3-oxo-7-[[4-(2,4,5-trifluorophenyl)phenoxy]methyl]-1H-indazol-2-yl]acetic acid
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| Structure |
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| Formula |
C22H15F3N2O4
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| Molecular Weight |
428.366
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| Canonical SMILES |
OC(=O)Cn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3F)cccc2c1=O
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| InChI |
InChI=1S/C22H15F3N2O4/c23-17-9-19(25)18(24)8-16(17)12-4-6-14(7-5-12)31-11-13-2-1-3-15-21(13)26-27(22(15)30)10-20(28)29/h1-9,26H,10-11H2,(H,28,29)
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| InChIKey |
HLQPLZKPJCTVRX-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