General Information of the Compound
| Compound ID |
CP0445945
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| Compound Name |
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-methyl-2-morpholin-4-ylpurin-6-amine
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| Structure |
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| Formula |
C18H18F2N8O
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| Molecular Weight |
400.393
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| Canonical SMILES |
Cn1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1
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| InChI |
InChI=1S/C18H18F2N8O/c1-27-9-22-15-16(25-18(26-17(15)27)28-4-6-29-7-5-28)21-8-12-23-11-3-2-10(19)13(20)14(11)24-12/h2-3,9H,4-8H2,1H3,(H,23,24)(H,21,25,26)
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| InChIKey |
AUZNUIVUPNMYCL-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