General Information of the Compound
| Compound ID |
CP0450880
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| Compound Name |
6-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)purine-2,6-diamine
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| Structure |
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| Formula |
C19H13F3N8
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| Molecular Weight |
410.363
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| Canonical SMILES |
Nc1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(-c3cccc(F)c3)c2n1
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| InChI |
InChI=1S/C19H13F3N8/c20-9-2-1-3-10(6-9)30-8-25-16-17(28-19(23)29-18(16)30)24-7-13-26-12-5-4-11(21)14(22)15(12)27-13/h1-6,8H,7H2,(H,26,27)(H3,23,24,28,29)
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| InChIKey |
ZVDOBWIBXDKTAM-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