General Information of the Compound
| Compound ID |
CP0509118
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| Compound Name |
2-Methylaminomethyl-4-phenyl-quinoline-3-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
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| Structure |
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| Formula |
C27H21F6N3O
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| Molecular Weight |
517.473
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| Canonical SMILES |
CNCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H21F6N3O/c1-34-15-22-24(23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)36-22)25(37)35-14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h2-13,34H,14-15H2,1H3,(H,35,37)
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| InChIKey |
KUPDICLCUUMCDF-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