General Information of the Compound
| Compound ID |
CP0402140
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| Compound Name |
6-amino-2-(2-methoxyethoxy)-9-(piperidin-4-ylmethyl)-7H-purin-8-one;hydrochloride
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| Structure |
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| Formula |
C14H23ClN6O3
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| Molecular Weight |
358.83
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| Canonical SMILES |
Cl.COCCOc1nc(N)c2[nH]c(=O)n(CC3CCNCC3)c2n1
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| InChI |
InChI=1S/C14H22N6O3.ClH/c1-22-6-7-23-13-18-11(15)10-12(19-13)20(14(21)17-10)8-9-2-4-16-5-3-9;/h9,16H,2-8H2,1H3,(H,17,21)(H2,15,18,19);1H
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| InChIKey |
UNPHQOJSQHJQPH-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