General Information of the Compound
| Compound ID |
CP0542437
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| Compound Name |
N-[4-[1-[5-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]piperidin-4-yl]-5-methyl-1H-imidazol-2-yl]acetamide
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| Structure |
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| Formula |
C21H22ClFN6O
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| Molecular Weight |
428.899
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| Canonical SMILES |
CC(=O)Nc1nc(C)c([nH]1)C1CCN(CC1)c1ncncc1-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C21H22ClFN6O/c1-12-19(28-21(26-12)27-13(2)30)14-5-7-29(8-6-14)20-16(10-24-11-25-20)15-3-4-18(23)17(22)9-15/h3-4,9-11,14H,5-8H2,1-2H3,(H2,26,27,28,30)
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| InChIKey |
AMBWABMRDGBHOI-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