General Information of the Compound
| Compound ID |
CP0548517
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| Compound Name |
N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
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| Structure |
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| Formula |
C23H15F4N3O
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| Molecular Weight |
425.385
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| Canonical SMILES |
Fc1ccc(cc1)[C@H](NC(=O)c1ccc2cccnc2c1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C23H15F4N3O/c24-17-9-7-15(8-10-17)20(21-18(23(25,26)27)4-2-12-29-21)30-22(31)16-6-5-14-3-1-11-28-19(14)13-16/h1-13,20H,(H,30,31)/t20-/m0/s1
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| InChIKey |
KHLQJMXGNUKLQZ-FQEVSTJZSA-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
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT06117, Transient receptor potential cation channel subfamily M member 8