General Information of the Compound
| Compound ID |
CP0449838
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| Compound Name |
Butyl-ethyl-[2-methyl-9-(2,4,6-trimethyl-phenyl)-9H-purin-6-yl]-amine
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| Structure |
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| Formula |
C21H29N5
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| Molecular Weight |
351.498
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| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(cnc12)-c1c(C)cc(C)cc1C
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| InChI |
InChI=1S/C21H29N5/c1-7-9-10-25(8-2)20-18-21(24-17(6)23-20)26(13-22-18)19-15(4)11-14(3)12-16(19)5/h11-13H,7-10H2,1-6H3
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| InChIKey |
CECFPCLEZBZLIT-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