General Information of the Compound
| Compound ID |
CP0013692
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| Compound Name |
1-[(3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-propylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C21H30N8O
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| Molecular Weight |
410.526
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| Canonical SMILES |
CCCn1c(nc2c(N[C@H]3CCN(C3)C(=O)CC)ncnc12)-c1cnn(CC)c1C
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| InChI |
InChI=1S/C21H30N8O/c1-5-9-28-20(16-11-24-29(7-3)14(16)4)26-18-19(22-13-23-21(18)28)25-15-8-10-27(12-15)17(30)6-2/h11,13,15H,5-10,12H2,1-4H3,(H,22,23,25)/t15-/m0/s1
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| InChIKey |
YZIQWCCWCHYCEF-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