General Information of the Compound
| Compound ID |
CP0457182
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| Compound Name |
9-(3-fluorophenyl)-N-[(6-methylpyridin-2-yl)methyl]-2-morpholin-4-ylpurin-6-amine
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| Structure |
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| Formula |
C22H22FN7O
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| Molecular Weight |
419.464
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| Canonical SMILES |
Cc1cccc(CNc2nc(nc3n(cnc23)-c2cccc(F)c2)N2CCOCC2)n1
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| InChI |
InChI=1S/C22H22FN7O/c1-15-4-2-6-17(26-15)13-24-20-19-21(28-22(27-20)29-8-10-31-11-9-29)30(14-25-19)18-7-3-5-16(23)12-18/h2-7,12,14H,8-11,13H2,1H3,(H,24,27,28)
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| InChIKey |
NPDWZQGNEFBIKZ-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