General Information of the Compound
| Compound ID |
CP0449284
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| Compound Name |
4-methyl-7-(2-methylphenyl)-6-pentylpurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C20H23N5O2
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| Molecular Weight |
365.437
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| Canonical SMILES |
CCCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
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| InChI |
InChI=1S/C20H23N5O2/c1-4-5-8-11-24-15(14-10-7-6-9-13(14)2)12-25-16-17(21-19(24)25)23(3)20(27)22-18(16)26/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,22,26,27)
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| InChIKey |
FEUROIAPXOHARH-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