General Information of the Compound
| Compound ID |
CP0112691
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| Compound Name |
1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-2-piperidineacetamide
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| Structure |
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| Formula |
C23H28N6O3
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| Molecular Weight |
436.516
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| Canonical SMILES |
COc1ccc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1OC
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| InChI |
InChI=1S/C23H28N6O3/c1-31-19-7-6-17(13-20(19)32-2)15-26-22(30)14-18-5-3-4-11-29(18)21-8-9-25-23(27-21)28-12-10-24-16-28/h6-10,12-13,16,18H,3-5,11,14-15H2,1-2H3,(H,26,30)
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| InChIKey |
XBKKUUPXEKAGJX-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