General Information of the Compound
| Compound ID |
CP0407859
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| Compound Name |
9-(3-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine
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| Structure |
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| Formula |
C27H31FN8O
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| Molecular Weight |
502.598
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(CNc2nc(nc3n(cnc23)-c2cccc(F)c2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C27H31FN8O/c1-33-9-11-34(12-10-33)22-7-5-20(6-8-22)18-29-25-24-26(32-27(31-25)35-13-15-37-16-14-35)36(19-30-24)23-4-2-3-21(28)17-23/h2-8,17,19H,9-16,18H2,1H3,(H,29,31,32)
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| InChIKey |
SWBOENCRQCSBMY-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