General Information of the Compound
| Compound ID |
CP0550145
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| Compound Name |
9-(3-fluorophenyl)-N-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]methyl]-2-morpholin-4-ylpurin-6-amine
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| Structure |
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| Formula |
C26H30FN9O
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| Molecular Weight |
503.586
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(CNc2nc(nc3n(cnc23)-c2cccc(F)c2)N2CCOCC2)nc1
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| InChI |
InChI=1S/C26H30FN9O/c1-33-7-9-34(10-8-33)22-6-5-20(28-17-22)16-29-24-23-25(32-26(31-24)35-11-13-37-14-12-35)36(18-30-23)21-4-2-3-19(27)15-21/h2-6,15,17-18H,7-14,16H2,1H3,(H,29,31,32)
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| InChIKey |
DUDGJCLIJOMHFB-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