General Information of the Compound
| Compound ID |
CP0511708
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| Compound Name |
N-[4-(2-cyanopropan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
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| Structure |
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| Formula |
C22H21F3N4O
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| Molecular Weight |
414.431
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| Canonical SMILES |
CC(C)(C#N)c1ccc(NC(=O)C2=CCN(CC2)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C22H21F3N4O/c1-21(2,14-26)16-5-7-17(8-6-16)28-20(30)15-9-12-29(13-10-15)19-18(22(23,24)25)4-3-11-27-19/h3-9,11H,10,12-13H2,1-2H3,(H,28,30)
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| InChIKey |
JXEAJXWJKWGKFD-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