General Information of the Compound
| Compound ID |
CP0491639
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| Compound Name |
2-pyridin-3-yl-7-[[4-(2,4,5-trifluorophenyl)phenoxy]methyl]-1H-indazol-3-one
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| Structure |
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| Formula |
C25H16F3N3O2
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| Molecular Weight |
447.416
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| Canonical SMILES |
Fc1cc(F)c(cc1F)-c1ccc(OCc2cccc3c2[nH]n(-c2cccnc2)c3=O)cc1
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| InChI |
InChI=1S/C25H16F3N3O2/c26-21-12-23(28)22(27)11-20(21)15-6-8-18(9-7-15)33-14-16-3-1-5-19-24(16)30-31(25(19)32)17-4-2-10-29-13-17/h1-13,30H,14H2
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| InChIKey |
PLNUBBSZNKYZNF-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