General Information of the Compound
| Compound ID |
CP0449381
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| Compound Name |
9-(2-bromo-4,6-dimethoxyphenyl)-N-butyl-N-ethyl-2-methylpurin-6-amine
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| Structure |
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| Formula |
C20H26BrN5O2
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| Molecular Weight |
448.365
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| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(cnc12)-c1c(Br)cc(OC)cc1OC
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| InChI |
InChI=1S/C20H26BrN5O2/c1-6-8-9-25(7-2)19-17-20(24-13(3)23-19)26(12-22-17)18-15(21)10-14(27-4)11-16(18)28-5/h10-12H,6-9H2,1-5H3
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| InChIKey |
VJMBTPYFFSIGFI-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