General Information of the Compound
| Compound ID |
CP0542715
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| Compound Name |
9-Benzyl-6-(4-methylpiperazin-1-yl)-9H-purin-2-amine
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| Structure |
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| Formula |
C17H21N7
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| Molecular Weight |
323.404
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| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc2n(Cc3ccccc3)cnc12
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| InChI |
InChI=1S/C17H21N7/c1-22-7-9-23(10-8-22)15-14-16(21-17(18)20-15)24(12-19-14)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H2,18,20,21)
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| InChIKey |
QJLJTWCOYMCQNY-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