General Information of the Compound
| Compound ID |
CP0363428
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| Compound Name |
1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]-2-piperidineacetamide
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| Structure |
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| Formula |
C24H30N6O4
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| Molecular Weight |
466.542
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| Canonical SMILES |
COc1cc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc(OC)c1OC
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| InChI |
InChI=1S/C24H30N6O4/c1-32-19-12-17(13-20(33-2)23(19)34-3)15-27-22(31)14-18-6-4-5-10-30(18)21-7-8-26-24(28-21)29-11-9-25-16-29/h7-9,11-13,16,18H,4-6,10,14-15H2,1-3H3,(H,27,31)
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| InChIKey |
YTLXJPCJBOJBRP-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