General Information of the Compound
| Compound ID |
CP0444207
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| Compound Name |
1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-(1-oxo-2H-isoquinolin-7-yl)urea
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| Formula |
C23H24F3N5O2
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| Molecular Weight |
459.472
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc2cc[nH]c(=O)c2c1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F3N5O2/c1-14-7-10-31(11-8-14)20-16(3-5-19(30-20)23(24,25)26)13-28-22(33)29-17-4-2-15-6-9-27-21(32)18(15)12-17/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,27,32)(H2,28,29,33)
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| InChIKey |
WBIISZAFPJBGRK-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