General Information of the Compound
| Compound ID |
CP0484200
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| Compound Name |
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-ethyl-2-morpholin-4-ylpurin-6-amine
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| Structure |
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| Formula |
C19H20F2N8O
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| Molecular Weight |
414.42
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| Canonical SMILES |
CCn1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1
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| InChI |
InChI=1S/C19H20F2N8O/c1-2-28-10-23-16-17(26-19(27-18(16)28)29-5-7-30-8-6-29)22-9-13-24-12-4-3-11(20)14(21)15(12)25-13/h3-4,10H,2,5-9H2,1H3,(H,24,25)(H,22,26,27)
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| InChIKey |
NRPLGRPADSPCHE-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