General Information of the Compound
| Compound ID |
CP0416141
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| Compound Name |
2-[[6-[(4,5-difluoro-1H-benzimidazol-2-yl)methylamino]-9-(3-fluorophenyl)purin-2-yl]amino]ethanol
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| Structure |
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| Formula |
C21H17F3N8O
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| Molecular Weight |
454.416
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| Canonical SMILES |
OCCNc1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(-c3cccc(F)c3)c2n1
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| InChI |
InChI=1S/C21H17F3N8O/c22-11-2-1-3-12(8-11)32-10-27-18-19(30-21(25-6-7-33)31-20(18)32)26-9-15-28-14-5-4-13(23)16(24)17(14)29-15/h1-5,8,10,33H,6-7,9H2,(H,28,29)(H2,25,26,30,31)
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| InChIKey |
JPMPGVCYIOLBPR-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