General Information of the Compound
| Compound ID |
CP0484205
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| Compound Name |
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-9-(3-fluorophenyl)purin-6-amine
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| Structure |
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| Formula |
C23H19F3N8O2S
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| Molecular Weight |
528.52
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| Canonical SMILES |
Fc1cccc(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C23H19F3N8O2S/c24-13-2-1-3-14(10-13)34-12-28-20-21(27-11-17-29-16-5-4-15(25)18(26)19(16)30-17)31-23(32-22(20)34)33-6-8-37(35,36)9-7-33/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32)
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| InChIKey |
YSZHRHSKTZIEIL-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