General Information of the Compound
| Compound ID |
CP0462363
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| Compound Name |
1-(Pyrimidin-2-yl)-N-(4-(trifluoromethylsulfonyl)-phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
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| Structure |
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| Formula |
C17H15F3N4O3S
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| Molecular Weight |
412.393
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| Canonical SMILES |
FC(F)(F)S(=O)(=O)c1ccc(NC(=O)C2=CCN(CC2)c2ncccn2)cc1
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| InChI |
InChI=1S/C17H15F3N4O3S/c18-17(19,20)28(26,27)14-4-2-13(3-5-14)23-15(25)12-6-10-24(11-7-12)16-21-8-1-9-22-16/h1-6,8-9H,7,10-11H2,(H,23,25)
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| InChIKey |
VNTKWNRBZDNLIT-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