General Information of the Compound
| Compound ID |
CP0477261
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| Compound Name |
9-benzyl-6-(4-methylpiperazin-1-yl)-9H-purine
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| Synonyms |
9-benzyl-6-(4-methylpiperazin-1-yl)-9H-purine
CHEMBL594468
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| Structure |
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| Formula |
C17H20N6
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| Molecular Weight |
308.389
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| Canonical SMILES |
CN1CCN(CC1)c1ncnc2n(Cc3ccccc3)cnc12
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| InChI |
InChI=1S/C17H20N6/c1-21-7-9-22(10-8-21)16-15-17(19-12-18-16)23(13-20-15)11-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
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| InChIKey |
JSSGUCJSJQMEEQ-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
Clinical Information about the Compound