General Information of the Compound
| Compound ID |
CP0404111
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| Compound Name |
N-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-9-(oxan-2-yl)purin-6-amine
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| Structure |
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| Formula |
C21H26BrN7O
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| Molecular Weight |
472.391
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| Canonical SMILES |
CN1CCN(CC1)c1nc(Nc2ccc(Br)cc2)c2ncn(C3CCCCO3)c2n1
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| InChI |
InChI=1S/C21H26BrN7O/c1-27-9-11-28(12-10-27)21-25-19(24-16-7-5-15(22)6-8-16)18-20(26-21)29(14-23-18)17-4-2-3-13-30-17/h5-8,14,17H,2-4,9-13H2,1H3,(H,24,25,26)
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| InChIKey |
WFNMWRGFFJQDTH-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