General Information of the Compound
| Compound ID |
CP0541216
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| Compound Name |
4-[6-(dicyclopropylmethylamino)-2,8-dimethylpurin-9-yl]benzonitrile
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| Structure |
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| Formula |
C21H22N6
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| Molecular Weight |
358.449
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| Canonical SMILES |
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H22N6/c1-12-23-20(26-18(15-5-6-15)16-7-8-16)19-21(24-12)27(13(2)25-19)17-9-3-14(11-22)4-10-17/h3-4,9-10,15-16,18H,5-8H2,1-2H3,(H,23,24,26)
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| InChIKey |
LAKFONGEXFWJAI-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