General Information of the Compound
| Compound ID |
CP0457184
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| Compound Name |
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-pyridin-3-ylpurin-6-amine
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| Structure |
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| Formula |
C22H19F2N9O
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| Molecular Weight |
463.452
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| Canonical SMILES |
Fc1ccc2[nH]c(CNc3nc(nc4n(cnc34)-c3cccnc3)N3CCOCC3)nc2c1F
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| InChI |
InChI=1S/C22H19F2N9O/c23-14-3-4-15-18(17(14)24)29-16(28-15)11-26-20-19-21(31-22(30-20)32-6-8-34-9-7-32)33(12-27-19)13-2-1-5-25-10-13/h1-5,10,12H,6-9,11H2,(H,28,29)(H,26,30,31)
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| InChIKey |
FWYBLPRYUIUDDL-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