General Information of the Compound
| Compound ID |
CP0404109
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| Compound Name |
9-benzyl-N-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)purin-6-amine
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| Structure |
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| Formula |
C23H24BrN7
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| Molecular Weight |
478.398
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| Canonical SMILES |
CN1CCN(CC1)c1nc(Nc2ccc(Br)cc2)c2ncn(Cc3ccccc3)c2n1
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| InChI |
InChI=1S/C23H24BrN7/c1-29-11-13-30(14-12-29)23-27-21(26-19-9-7-18(24)8-10-19)20-22(28-23)31(16-25-20)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,26,27,28)
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| InChIKey |
WXAFNASZMCKLSI-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