General Information of the Compound
| Compound ID |
CP0412470
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| Compound Name |
9-(2-bromo-4-propan-2-ylphenyl)-N-butyl-N-ethyl-2,8-dimethylpurin-6-amine
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| Structure |
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| Formula |
C22H30BrN5
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| Molecular Weight |
444.421
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| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C22H30BrN5/c1-7-9-12-27(8-2)21-20-22(25-15(5)24-21)28(16(6)26-20)19-11-10-17(14(3)4)13-18(19)23/h10-11,13-14H,7-9,12H2,1-6H3
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| InChIKey |
XMBUSLAAFNHEDA-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