General Information of the Compound
| Compound ID |
CP0006089
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| Compound Name |
(2S)-2-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]-1-morpholin-4-ylbutan-1-one
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| Structure |
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| Formula |
C20H28N8O2
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| Molecular Weight |
412.498
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| Canonical SMILES |
CC[C@H](Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C20H28N8O2/c1-5-15(20(29)27-7-9-30-10-8-27)24-17-16-19(22-12-21-17)26(4)18(25-16)14-11-23-28(6-2)13(14)3/h11-12,15H,5-10H2,1-4H3,(H,21,22,24)/t15-/m0/s1
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| InChIKey |
JOGPRNUVXBOPNQ-HNNXBMFYSA-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