General Information of the Compound
| Compound ID |
CP0575182
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| Compound Name |
N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C20H21F3N4O3
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| Molecular Weight |
422.407
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| Canonical SMILES |
COc1cc(NC(=O)c2cccc(n2)C(F)(F)F)cc2cn(CCC(C)(C)O)nc12
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| InChI |
InChI=1S/C20H21F3N4O3/c1-19(2,29)7-8-27-11-12-9-13(10-15(30-3)17(12)26-27)24-18(28)14-5-4-6-16(25-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,24,28)
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| InChIKey |
XMCVOKUYKZIZJM-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