General Information of the Compound
| Compound ID |
CP0411091
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| Compound Name |
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-pyridin-3-ylpurin-6-amine
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| Structure |
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| Formula |
C23H23ClN10
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| Molecular Weight |
474.96
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2nc3cc(Cl)ccc3[nH]2)c2ncn(-c3cccnc3)c2n1
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| InChI |
InChI=1S/C23H23ClN10/c1-32-7-9-33(10-8-32)23-30-21(26-13-19-28-17-5-4-15(24)11-18(17)29-19)20-22(31-23)34(14-27-20)16-3-2-6-25-12-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,28,29)(H,26,30,31)
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| InChIKey |
UWGQWOKVYZBPQB-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
Protein ID: PT01351, Casein kinase I isoform delta
Protein ID: PT01551, Casein kinase I isoform epsilon