General Information of the Compound
| Compound ID |
CP0128740
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| Compound Name |
6-butyl-4-methyl-7-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C19H21N5O2
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| Molecular Weight |
351.41
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| Canonical SMILES |
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
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| InChI |
InChI=1S/C19H21N5O2/c1-4-5-10-23-14(13-9-7-6-8-12(13)2)11-24-15-16(20-18(23)24)22(3)19(26)21-17(15)25/h6-9,11H,4-5,10H2,1-3H3,(H,21,25,26)
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| InChIKey |
KCEWOOVCWCPFCY-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