General Information of the Compound
| Compound ID |
CP0404122
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| Compound Name |
2-(2-hydroxyethyl)-7-[[4-(2,4,5-trifluorophenyl)phenoxy]methyl]-1H-indazol-3-one
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| Structure |
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| Formula |
C22H17F3N2O3
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| Molecular Weight |
414.383
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| Canonical SMILES |
OCCn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3F)cccc2c1=O
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| InChI |
InChI=1S/C22H17F3N2O3/c23-18-11-20(25)19(24)10-17(18)13-4-6-15(7-5-13)30-12-14-2-1-3-16-21(14)26-27(8-9-28)22(16)29/h1-7,10-11,26,28H,8-9,12H2
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| InChIKey |
VXTOHGSPKNPZOC-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