General Information of the Compound
| Compound ID |
CP0206376
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| Compound Name |
N-[2-[(1-benzylpiperidin-4-yl)amino]-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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| Structure |
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| Formula |
C31H31F3N4O3
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| Molecular Weight |
564.608
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| Canonical SMILES |
Cc1cc(NC2CCN(Cc3ccccc3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
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| InChI |
InChI=1S/C31H31F3N4O3/c1-21-17-29(35-23-13-15-38(16-14-23)19-22-5-3-2-4-6-22)37-28-12-7-24(18-27(21)28)36-30(39)20-40-25-8-10-26(11-9-25)41-31(32,33)34/h2-12,17-18,23H,13-16,19-20H2,1H3,(H,35,37)(H,36,39)
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| InChIKey |
LKYBAOASTZHANA-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