General Information of the Compound
| Compound ID |
CP0450877
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| Compound Name |
6-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-N-(1-methylpiperidin-4-yl)purine-2,6-diamine
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| Structure |
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| Formula |
C25H24F3N9
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| Molecular Weight |
507.524
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| Canonical SMILES |
CN1CCC(CC1)Nc1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(-c3cccc(F)c3)c2n1
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| InChI |
InChI=1S/C25H24F3N9/c1-36-9-7-15(8-10-36)31-25-34-23(29-12-19-32-18-6-5-17(27)20(28)21(18)33-19)22-24(35-25)37(13-30-22)16-4-2-3-14(26)11-16/h2-6,11,13,15H,7-10,12H2,1H3,(H,32,33)(H2,29,31,34,35)
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| InChIKey |
WLIDYLPYZWGLBC-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