General Information of the Compound
| Compound ID |
CP0392382
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| Compound Name |
7-(2-chlorophenyl)-6-(2-methoxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C21H16ClN5O3
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| Molecular Weight |
421.844
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| Canonical SMILES |
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1Cl
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| InChI |
InChI=1S/C21H16ClN5O3/c1-25-18-17(19(28)24-21(25)29)26-11-15(12-7-3-4-8-13(12)22)27(20(26)23-18)14-9-5-6-10-16(14)30-2/h3-11H,1-2H3,(H,24,28,29)
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| InChIKey |
GUFPBYBPFUDKIX-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