General Information of the Compound
| Compound ID |
CP0437656
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| Compound Name |
6-amino-9-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-butoxy-7H-purin-8-one;hydrochloride
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| Structure |
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| Formula |
C17H30ClN7O2
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| Molecular Weight |
399.927
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| Canonical SMILES |
Cl.CCCCOc1nc(N)c2[nH]c(=O)n(CC3CCN(CCN)CC3)c2n1
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| InChI |
InChI=1S/C17H29N7O2.ClH/c1-2-3-10-26-16-21-14(19)13-15(22-16)24(17(25)20-13)11-12-4-7-23(8-5-12)9-6-18;/h12H,2-11,18H2,1H3,(H,20,25)(H2,19,21,22);1H
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| InChIKey |
MPHBJLNAPMODRW-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8