General Information of the Compound
| Compound ID |
CP0579400
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| Compound Name |
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
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| Structure |
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| Formula |
C21H22N6O2
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| Molecular Weight |
390.447
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| Canonical SMILES |
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
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| InChI |
InChI=1S/C21H22N6O2/c1-13-10-17-14(4-3-7-22-17)11-16(13)24-20-23-12-18-19(25-20)27(21(28)26(18)2)15-5-8-29-9-6-15/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3,(H,23,24,25)
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| InChIKey |
LOQIJPHCNFJJTO-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