General Information of the Compound
| Compound ID |
CP0562566
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| Compound Name |
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-piperazin-1-yl-9-pyridin-3-ylpurin-6-amine
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| Structure |
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| Formula |
C23H24N10O
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| Molecular Weight |
456.514
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| Canonical SMILES |
COc1ccc2nc(CNc3nc(nc4n(cnc34)-c3cccnc3)N3CCNCC3)[nH]c2c1
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| InChI |
InChI=1S/C23H24N10O/c1-34-16-4-5-17-18(11-16)29-19(28-17)13-26-21-20-22(31-23(30-21)32-9-7-24-8-10-32)33(14-27-20)15-3-2-6-25-12-15/h2-6,11-12,14,24H,7-10,13H2,1H3,(H,28,29)(H,26,30,31)
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| InChIKey |
WULYTHUJNLTCTB-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