General Information of the Compound
| Compound ID |
CP0008641
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| Compound Name |
1-[3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]azetidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C18H24N8O
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| Molecular Weight |
368.445
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| Canonical SMILES |
CCC(=O)N1CC(C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
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| InChI |
InChI=1S/C18H24N8O/c1-5-14(27)25-8-12(9-25)22-16-15-18(20-10-19-16)24(4)17(23-15)13-7-21-26(6-2)11(13)3/h7,10,12H,5-6,8-9H2,1-4H3,(H,19,20,22)
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| InChIKey |
BGLCMAMMMFHRFS-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