General Information of the Compound
| Compound ID |
CP0440135
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| Compound Name |
6-amino-2-(butylamino)-9-[(6-methylpyridin-3-yl)methyl]-7H-purin-8-one
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| Structure |
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| Formula |
C16H21N7O
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| Molecular Weight |
327.392
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| Canonical SMILES |
CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C)nc3)c2n1
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| InChI |
InChI=1S/C16H21N7O/c1-3-4-7-18-15-21-13(17)12-14(22-15)23(16(24)20-12)9-11-6-5-10(2)19-8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,24)(H3,17,18,21,22)
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| InChIKey |
UEIOLEMXCBOQAX-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