General Information of the Compound
| Compound ID |
CP0572132
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| Compound Name |
4-(2,4-dimethoxypyrimidin-5-yl)-6-(trifluoromethyl)-1H-indazole
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| Structure |
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| Formula |
C14H11F3N4O2
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| Molecular Weight |
324.262
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| Canonical SMILES |
COc1ncc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F
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| InChI |
InChI=1S/C14H11F3N4O2/c1-22-12-10(5-18-13(20-12)23-2)8-3-7(14(15,16)17)4-11-9(8)6-19-21-11/h3-6H,1-2H3,(H,19,21)
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| InChIKey |
NLPCFFYBCGCRIT-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