General Information of the Compound
| Compound ID |
CP0173100
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| Compound Name |
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[(4-methoxyphenyl-)methyl]-2-piperidineacetamide
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| Structure |
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| Formula |
C22H26N6O2
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| Molecular Weight |
406.49
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| Canonical SMILES |
COc1ccc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1
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| InChI |
InChI=1S/C22H26N6O2/c1-30-19-7-5-17(6-8-19)15-25-21(29)14-18-4-2-3-12-28(18)20-9-10-24-22(26-20)27-13-11-23-16-27/h5-11,13,16,18H,2-4,12,14-15H2,1H3,(H,25,29)
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| InChIKey |
RWQHNEZMEIPWJF-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