General Information of the Compound
| Compound ID |
CP0172425
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| Compound Name |
N-[4-methyl-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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| Structure |
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| Formula |
C26H29F3N4O3
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| Molecular Weight |
502.537
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| Canonical SMILES |
Cc1cc(NCCN2CCCCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
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| InChI |
InChI=1S/C26H29F3N4O3/c1-18-15-24(30-11-14-33-12-3-2-4-13-33)32-23-10-5-19(16-22(18)23)31-25(34)17-35-20-6-8-21(9-7-20)36-26(27,28)29/h5-10,15-16H,2-4,11-14,17H2,1H3,(H,30,32)(H,31,34)
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| InChIKey |
RYWGNULCGCOYJE-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