General Information of the Compound
| Compound ID |
CP0399991
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| Compound Name |
4-[6-hydroxy-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl]benzene-1,3-dio
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| Structure |
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| Formula |
C15H11F3N2O3
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| Molecular Weight |
324.258
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| Canonical SMILES |
Oc1ccc(-c2nn(CC(F)(F)F)c3cc(O)ccc23)c(O)c1
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| InChI |
InChI=1S/C15H11F3N2O3/c16-15(17,18)7-20-12-5-8(21)1-3-10(12)14(19-20)11-4-2-9(22)6-13(11)23/h1-6,21-23H,7H2
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| InChIKey |
YUMVZGGRPJTXIJ-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