General Information of the Compound
| Compound ID |
CP0457188
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| Compound Name |
N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylpiperazin-1-yl)-9-pyridin-3-ylpurin-6-amine
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| Structure |
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| Formula |
C23H24N10
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| Molecular Weight |
440.515
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2nc3ccccc3[nH]2)c2ncn(-c3cccnc3)c2n1
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| InChI |
InChI=1S/C23H24N10/c1-31-9-11-32(12-10-31)23-29-21(25-14-19-27-17-6-2-3-7-18(17)28-19)20-22(30-23)33(15-26-20)16-5-4-8-24-13-16/h2-8,13,15H,9-12,14H2,1H3,(H,27,28)(H,25,29,30)
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| InChIKey |
NHQXCXVCBFIXOU-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