General Information of the Compound
| Compound ID |
CP0550149
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| Compound Name |
[1-[6-[(4,5-difluoro-1H-benzimidazol-2-yl)methylamino]-9-(3-fluorophenyl)purin-2-yl]piperidin-4-yl]methanol
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| Structure |
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| Formula |
C25H23F3N8O
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| Molecular Weight |
508.508
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| Canonical SMILES |
OCC1CCN(CC1)c1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(-c3cccc(F)c3)c2n1
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| InChI |
InChI=1S/C25H23F3N8O/c26-15-2-1-3-16(10-15)36-13-30-22-23(29-11-19-31-18-5-4-17(27)20(28)21(18)32-19)33-25(34-24(22)36)35-8-6-14(12-37)7-9-35/h1-5,10,13-14,37H,6-9,11-12H2,(H,31,32)(H,29,33,34)
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| InChIKey |
AAWFJIFGZYOQMC-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