General Information of the Compound
| Compound ID |
CP0538096
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| Compound Name |
N-[(4-cyanophenyl)methyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetamide
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| Structure |
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| Formula |
C22H23N7O
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| Molecular Weight |
401.474
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| Canonical SMILES |
O=C(CC1CCCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H23N7O/c23-14-17-4-6-18(7-5-17)15-26-21(30)13-19-3-1-2-11-29(19)20-8-9-25-22(27-20)28-12-10-24-16-28/h4-10,12,16,19H,1-3,11,13,15H2,(H,26,30)
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| InChIKey |
GKTHGYSAAFKCCY-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