General Information of the Compound
| Compound ID |
CP0416138
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| Compound Name |
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-(2-methylpyridin-4-yl)purin-6-amine
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| Structure |
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| Formula |
C24H24F2N10
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| Molecular Weight |
490.522
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(-c3ccnc(C)c3)c2n1
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| InChI |
InChI=1S/C24H24F2N10/c1-14-11-15(5-6-27-14)36-13-29-21-22(32-24(33-23(21)36)35-9-7-34(2)8-10-35)28-12-18-30-17-4-3-16(25)19(26)20(17)31-18/h3-6,11,13H,7-10,12H2,1-2H3,(H,30,31)(H,28,32,33)
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| InChIKey |
IGGFKUYFXBGUKC-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