General Information of the Compound
| Compound ID |
CP0013060
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| Compound Name |
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]butan-1-one
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| Structure |
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| Formula |
C22H32N8O2
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| Molecular Weight |
440.552
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| Canonical SMILES |
CC[C@H](Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1C[C@H](C)O[C@H](C)C1
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| InChI |
InChI=1S/C22H32N8O2/c1-7-17(22(31)29-10-13(3)32-14(4)11-29)26-19-18-21(24-12-23-19)28(6)20(27-18)16-9-25-30(8-2)15(16)5/h9,12-14,17H,7-8,10-11H2,1-6H3,(H,23,24,26)/t13-,14+,17-/m0/s1
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| InChIKey |
QAIGMMZFVFIOOP-VBQJREDUSA-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