General Information of the Compound
| Compound ID |
CP0519818
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| Compound Name |
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3,5-difluorophenyl)-2-morpholin-4-ylpurin-6-amine
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| Structure |
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| Formula |
C23H18F4N8O
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| Molecular Weight |
498.444
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| Canonical SMILES |
Fc1cc(F)cc(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1
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| InChI |
InChI=1S/C23H18F4N8O/c24-12-7-13(25)9-14(8-12)35-11-29-20-21(32-23(33-22(20)35)34-3-5-36-6-4-34)28-10-17-30-16-2-1-15(26)18(27)19(16)31-17/h1-2,7-9,11H,3-6,10H2,(H,30,31)(H,28,32,33)
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| InChIKey |
NGTUSLMZDSMVRH-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