General Information of the Compound
| Compound ID |
CP0421118
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,1-dimethyl-2-oxo-4-(4,4,4-trifluorobutoxy)quinoline-3-carboxamide
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| Structure |
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| Formula |
C25H21F9N2O3
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| Molecular Weight |
568.436
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC(F)(F)F)c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C25H21F9N2O3/c1-35(13-14-10-15(24(29,30)31)12-16(11-14)25(32,33)34)21(37)19-20(39-9-5-8-23(26,27)28)17-6-3-4-7-18(17)36(2)22(19)38/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3
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| InChIKey |
PDDUELOQNUROMF-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