General Information of the Compound
| Compound ID |
CP0497778
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| Compound Name |
6-[Benzyl-(2-methoxy-ethyl)-amino]-9-(2-bromo-4-isopropyl-phenyl)-2,7-dimethyl-7,9-dihydro-purin-8-one
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| Structure |
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| Formula |
C26H30BrN5O2
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| Molecular Weight |
524.463
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| Canonical SMILES |
COCCN(Cc1ccccc1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12
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| InChI |
InChI=1S/C26H30BrN5O2/c1-17(2)20-11-12-22(21(27)15-20)32-25-23(30(4)26(32)33)24(28-18(3)29-25)31(13-14-34-5)16-19-9-7-6-8-10-19/h6-12,15,17H,13-14,16H2,1-5H3
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| InChIKey |
HITUQNYGKJXOJD-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