General Information of the Compound
| Compound ID |
CP0569061
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| Compound Name |
7-methyl-9-[(3R)-1-methylpyrrolidin-3-yl]-2-[(7-methylquinolin-6-yl)amino]purin-8-one
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| Structure |
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| Formula |
C21H23N7O
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| Molecular Weight |
389.463
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| Canonical SMILES |
CN1CC[C@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
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| InChI |
InChI=1S/C21H23N7O/c1-13-9-17-14(5-4-7-22-17)10-16(13)24-20-23-11-18-19(25-20)28(21(29)27(18)3)15-6-8-26(2)12-15/h4-5,7,9-11,15H,6,8,12H2,1-3H3,(H,23,24,25)/t15-/m1/s1
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| InChIKey |
BKFQDJSERMBSAM-OAHLLOKOSA-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