General Information of the Compound
| Compound ID |
CP0502174
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| Compound Name |
N-(4-tert-butylphenyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide
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| Structure |
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| Formula |
C20H24N4O
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| Molecular Weight |
336.439
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)C2=CCN(CC2)c2ncccn2)cc1
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| InChI |
InChI=1S/C20H24N4O/c1-20(2,3)16-5-7-17(8-6-16)23-18(25)15-9-13-24(14-10-15)19-21-11-4-12-22-19/h4-9,11-12H,10,13-14H2,1-3H3,(H,23,25)
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| InChIKey |
XHFVGGDHBWNXLS-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