General Information of the Compound
| Compound ID |
CP0484199
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| Compound Name |
1-[6-[(4,5-difluoro-1H-benzimidazol-2-yl)methylamino]-9-(3-fluorophenyl)purin-2-yl]piperidin-4-one
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| Structure |
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| Formula |
C24H19F3N8O
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| Molecular Weight |
492.465
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| Canonical SMILES |
Fc1cccc(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCC(=O)CC1
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| InChI |
InChI=1S/C24H19F3N8O/c25-13-2-1-3-14(10-13)35-12-29-21-22(32-24(33-23(21)35)34-8-6-15(36)7-9-34)28-11-18-30-17-5-4-16(26)19(27)20(17)31-18/h1-5,10,12H,6-9,11H2,(H,30,31)(H,28,32,33)
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| InChIKey |
ITEPIFFLOYYCGG-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