General Information of the Compound
| Compound ID |
CP0492923
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetamide
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| Structure |
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| Formula |
C21H23ClN6O
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| Molecular Weight |
410.909
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| Canonical SMILES |
Clc1ccc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1
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| InChI |
InChI=1S/C21H23ClN6O/c22-17-6-4-16(5-7-17)14-25-20(29)13-18-3-1-2-11-28(18)19-8-9-24-21(26-19)27-12-10-23-15-27/h4-10,12,15,18H,1-3,11,13-14H2,(H,25,29)
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| InChIKey |
QSGAUBIKGYULKQ-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