General Information of the Compound
| Compound ID |
CP0858003
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| Compound Name |
4-(3-(6-amino-2-butoxy-8-oxo-7H-purin-9(8H)-yl)propyl)piperidinium chloride
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| Structure |
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| Formula |
C17H29ClN6O2
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| Molecular Weight |
384.912
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| Canonical SMILES |
CCCCOc1nc(N)c2[nH]c(=O)n(CCCC3CCNCC3)c2n1.Cl
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| InChI |
InChI=1S/C17H28N6O2.ClH/c1-2-3-11-25-16-21-14(18)13-15(22-16)23(17(24)20-13)10-4-5-12-6-8-19-9-7-12;/h12,19H,2-11H2,1H3,(H,20,24)(H2,18,21,22);1H
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| InChIKey |
GFWPFLOYKOBJQS-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