General Information of the Compound
| Compound ID |
CP0104389
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| Compound Name |
9-benzyl-N-(4-bromophenyl)-2-morpholino-9H-purin-6-amine
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| Structure |
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| Formula |
C22H21BrN6O
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| Molecular Weight |
465.355
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| Canonical SMILES |
Brc1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)N2CCOCC2)cc1
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| InChI |
InChI=1S/C22H21BrN6O/c23-17-6-8-18(9-7-17)25-20-19-21(27-22(26-20)28-10-12-30-13-11-28)29(15-24-19)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,25,26,27)
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| InChIKey |
WKLKWZBGQFAUMT-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