General Information of the Compound
| Compound ID |
CP0492742
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| Compound Name |
1-[[2-(cyclobutylmethoxy)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-(1-oxo-2H-isoquinolin-5-yl)urea
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| Formula |
C22H21F3N4O3
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| Molecular Weight |
446.429
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| Canonical SMILES |
FC(F)(F)c1ccc(CNC(=O)Nc2cccc3c2cc[nH]c3=O)c(OCC2CCC2)n1
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| InChI |
InChI=1S/C22H21F3N4O3/c23-22(24,25)18-8-7-14(20(29-18)32-12-13-3-1-4-13)11-27-21(31)28-17-6-2-5-16-15(17)9-10-26-19(16)30/h2,5-10,13H,1,3-4,11-12H2,(H,26,30)(H2,27,28,31)
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| InChIKey |
AYPOJOKKTVZASI-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