General Information of the Compound
| Compound ID |
CP0161025
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| Compound Name |
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[[4-(methylsulfonylamino)phenyl]methyl]-2-piperidineacetamide
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| Structure |
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| Formula |
C22H27N7O3S
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| Molecular Weight |
469.571
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1
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| InChI |
InChI=1S/C22H27N7O3S/c1-33(31,32)27-18-7-5-17(6-8-18)15-25-21(30)14-19-4-2-3-12-29(19)20-9-10-24-22(26-20)28-13-11-23-16-28/h5-11,13,16,19,27H,2-4,12,14-15H2,1H3,(H,25,30)
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| InChIKey |
NZZAHSPYURBWLO-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