General Information of the Compound
| Compound ID |
CP0859648
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| Compound Name |
6-amino-2-[(1S)-1-methylbutoxy]-9-[5-(4-piperidyl)pentyl]-7H-purin-8-one Hydrochloride
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| Structure |
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| Formula |
C20H35ClN6O2
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| Molecular Weight |
426.993
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| Canonical SMILES |
CCC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CCCCCC3CCNCC3)c2n1.Cl
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| InChI |
InChI=1S/C20H34N6O2.ClH/c1-3-7-14(2)28-19-24-17(21)16-18(25-19)26(20(27)23-16)13-6-4-5-8-15-9-11-22-12-10-15;/h14-15,22H,3-13H2,1-2H3,(H,23,27)(H2,21,24,25);1H/t14-;/m0./s1
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| InChIKey |
QELJCAKIFCADIL-UQKRIMTDSA-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8