General Information of the Compound
| Compound ID |
CP0428690
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| Compound Name |
6-amino-2-(butylamino)-9-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-7H-purin-8-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 |
CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)N3CCN(C)CC3)c2n1
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| InChI |
InChI=1S/C21H30N8O/c1-3-4-9-23-20-25-18(22)17-19(26-20)29(21(30)24-17)14-15-5-7-16(8-6-15)28-12-10-27(2)11-13-28/h5-8H,3-4,9-14H2,1-2H3,(H,24,30)(H3,22,23,25,26)
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| InChIKey |
GGPFOIAPLXDEAO-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