General Information of the Compound
| Compound ID |
CP0015326
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| Compound Name |
1-[(3S)-3-[[8-(2-methylpyrimidin-5-yl)-9-propylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C20H26N8O
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| Molecular Weight |
394.483
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| Canonical SMILES |
CCCn1c(nc2c(N[C@H]3CCN(C3)C(=O)CC)ncnc12)-c1cnc(C)nc1
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| InChI |
InChI=1S/C20H26N8O/c1-4-7-28-19(14-9-21-13(3)22-10-14)26-17-18(23-12-24-20(17)28)25-15-6-8-27(11-15)16(29)5-2/h9-10,12,15H,4-8,11H2,1-3H3,(H,23,24,25)/t15-/m0/s1
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| InChIKey |
RFTOGWFFCBAIPK-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