General Information of the Compound
| Compound ID |
CP0550188
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| Compound Name |
7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methylquinolin-6-yl)amino]purin-8-one
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| Structure |
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| Formula |
C22H25N7O
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| Molecular Weight |
403.49
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| Canonical SMILES |
CN1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
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| InChI |
InChI=1S/C22H25N7O/c1-14-11-18-15(5-4-8-23-18)12-17(14)25-21-24-13-19-20(26-21)29(22(30)28(19)3)16-6-9-27(2)10-7-16/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3,(H,24,25,26)
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| InChIKey |
FDMMYUOTNSORRO-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