General Information of the Compound
| Compound ID |
CP0402138
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| Compound Name |
6-amino-2-butoxy-9-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-7H-purin-8-one;hydrochloride
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| Structure |
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| Formula |
C17H29ClN6O3
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| Molecular Weight |
400.911
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| Canonical SMILES |
Cl.CCCCOc1nc(N)c2[nH]c(=O)n(CC3CCN(CCO)CC3)c2n1
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| InChI |
InChI=1S/C17H28N6O3.ClH/c1-2-3-10-26-16-20-14(18)13-15(21-16)23(17(25)19-13)11-12-4-6-22(7-5-12)8-9-24;/h12,24H,2-11H2,1H3,(H,19,25)(H2,18,20,21);1H
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| InChIKey |
YAVIORZCFAPDCR-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