General Information of the Compound
| Compound ID |
CP0499801
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| Compound Name |
6-amino-2-(butylamino)-9-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-7H-purin-8-one
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| Structure |
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| Formula |
C20H29N9O
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| Molecular Weight |
411.514
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| Canonical SMILES |
CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(nc3)N3CCN(C)CC3)c2n1
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| InChI |
InChI=1S/C20H29N9O/c1-3-4-7-22-19-25-17(21)16-18(26-19)29(20(30)24-16)13-14-5-6-15(23-12-14)28-10-8-27(2)9-11-28/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,24,30)(H3,21,22,25,26)
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| InChIKey |
HZIRXOVNKABCQD-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