General Information of the Compound
| Compound ID |
CP0450875
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| Compound Name |
9-(6-chloropyridin-3-yl)-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-ylpurin-6-amine
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| Structure |
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| Formula |
C22H18ClF2N9O
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| Molecular Weight |
497.897
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| Canonical SMILES |
Fc1ccc2[nH]c(CNc3nc(nc4n(cnc34)-c3ccc(Cl)nc3)N3CCOCC3)nc2c1F
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| InChI |
InChI=1S/C22H18ClF2N9O/c23-15-4-1-12(9-26-15)34-11-28-19-20(31-22(32-21(19)34)33-5-7-35-8-6-33)27-10-16-29-14-3-2-13(24)17(25)18(14)30-16/h1-4,9,11H,5-8,10H2,(H,29,30)(H,27,31,32)
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| InChIKey |
JYIDOOYLGITHSS-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