General Information of the Compound
| Compound ID |
CP0416696
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| Compound Name |
6-amino-2-butoxy-9-(3-piperidin-1-ylpropyl)-7H-purin-8-one
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| Structure |
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| Formula |
C17H28N6O2
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| Molecular Weight |
348.451
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| Canonical SMILES |
CCCCOc1nc(N)c2nc(O)n(CCCN3CCCCC3)c2n1
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| InChI |
InChI=1S/C17H28N6O2/c1-2-3-12-25-16-20-14(18)13-15(21-16)23(17(24)19-13)11-7-10-22-8-5-4-6-9-22/h2-12H2,1H3,(H,19,24)(H2,18,20,21)
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| InChIKey |
BMFALWWMQXNHKG-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