General Information of the Compound
| Compound ID |
CP0407857
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| Compound Name |
N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-pyridin-3-ylpurin-6-amine
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| Structure |
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| Formula |
C22H21N9O
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| Molecular Weight |
427.472
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| Canonical SMILES |
C(Nc1nc(nc2n(cnc12)-c1cccnc1)N1CCOCC1)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C22H21N9O/c1-2-6-17-16(5-1)26-18(27-17)13-24-20-19-21(29-22(28-20)30-8-10-32-11-9-30)31(14-25-19)15-4-3-7-23-12-15/h1-7,12,14H,8-11,13H2,(H,26,27)(H,24,28,29)
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| InChIKey |
MRBCMMFFSDIHIK-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