General Information of the Compound
| Compound ID |
CP0520450
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| Compound Name |
9-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-N-(2-methoxyethyl)-2-methylpurin-6-amine
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| Structure |
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| Formula |
C20H26BrN5O
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| Molecular Weight |
432.366
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| Canonical SMILES |
CCN(CCOC)c1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C20H26BrN5O/c1-6-25(9-10-27-5)19-18-20(24-14(4)23-19)26(12-22-18)17-8-7-15(13(2)3)11-16(17)21/h7-8,11-13H,6,9-10H2,1-5H3
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| InChIKey |
WNMLXTWYWYINRQ-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