General Information of the Compound
| Compound ID |
CP0011973
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| Compound Name |
1-[(3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]piperidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C20H28N8O
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| Molecular Weight |
396.499
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| Canonical SMILES |
CCC(=O)N1CCC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
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| InChI |
InChI=1S/C20H28N8O/c1-5-16(29)27-9-7-8-14(11-27)24-18-17-20(22-12-21-18)26(4)19(25-17)15-10-23-28(6-2)13(15)3/h10,12,14H,5-9,11H2,1-4H3,(H,21,22,24)/t14-/m0/s1
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| InChIKey |
IFQPBOOTNHRBQE-AWEZNQCLSA-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