General Information of the Compound
| Compound ID |
CP0536913
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| Compound Name |
6-Dipropylamino-2,7-dimethyl-9-(2,4,6-trimethyl-pyridin-3-yl)-7,9-dihydro-purin-8-one
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| Structure |
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| Formula |
C21H30N6O
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| Molecular Weight |
382.512
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| Canonical SMILES |
CCCN(CCC)c1nc(C)nc2n(-c3c(C)cc(C)nc3C)c(=O)n(C)c12
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| InChI |
InChI=1S/C21H30N6O/c1-8-10-26(11-9-2)19-18-20(24-16(6)23-19)27(21(28)25(18)7)17-13(3)12-14(4)22-15(17)5/h12H,8-11H2,1-7H3
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| InChIKey |
MHVVLLSTDIKUMP-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