General Information of the Compound
| Compound ID |
CP0511707
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| Compound Name |
1-(3-Fluoropyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)-phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
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| Structure |
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| Formula |
C18H15F4N3O3S
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| Molecular Weight |
429.395
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| Canonical SMILES |
Fc1cccnc1N1CCC(=CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F
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| InChI |
InChI=1S/C18H15F4N3O3S/c19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-13-3-5-14(6-4-13)29(27,28)18(20,21)22/h1-7,9H,8,10-11H2,(H,24,26)
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| InChIKey |
NZJOFNVIKAMGMH-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