General Information of the Compound
| Compound ID |
CP0502175
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| Compound Name |
N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
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| Structure |
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| Formula |
C22H24F3N3O
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| Molecular Weight |
403.448
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)C2=CCN(CC2)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C22H24F3N3O/c1-21(2,3)16-6-8-17(9-7-16)27-20(29)15-10-13-28(14-11-15)19-18(22(23,24)25)5-4-12-26-19/h4-10,12H,11,13-14H2,1-3H3,(H,27,29)
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| InChIKey |
ZKVHJFLFVGNDON-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