General Information of the Compound
| Compound ID |
CP0440153
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| Compound Name |
6-hexyl-4-methyl-7-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
CCCCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
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| InChI |
InChI=1S/C21H25N5O2/c1-4-5-6-9-12-25-16(15-11-8-7-10-14(15)2)13-26-17-18(22-20(25)26)24(3)21(28)23-19(17)27/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,23,27,28)
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| InChIKey |
DSQCUCZJPJZOOD-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