General Information of the Compound
| Compound ID |
CP0388152
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| Compound Name |
9-benzyl-N-(4-nitrophenyl)-2-phenylpurin-6-amine
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| Synonyms |
CHEMBL496984
N6-[(4-Nitro)-phenyl]-9-benzyl-2-phenyladenine
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| Structure |
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| Formula |
C24H18N6O2
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| Molecular Weight |
422.448
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C24H18N6O2/c31-30(32)20-13-11-19(12-14-20)26-23-21-24(28-22(27-23)18-9-5-2-6-10-18)29(16-25-21)15-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,26,27,28)
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| InChIKey |
AQQCBPZYBVKEFU-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