General Information of the Compound
| Compound ID |
CP0579887
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| Compound Name |
9-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
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| Structure |
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| Formula |
C23H27N7O2
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| Molecular Weight |
433.516
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| Canonical SMILES |
COCCN1CC[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
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| InChI |
InChI=1S/C23H27N7O2/c1-15-11-19-16(5-4-7-24-19)12-18(15)26-22-25-13-20-21(27-22)30(23(31)28(20)2)17-6-8-29(14-17)9-10-32-3/h4-5,7,11-13,17H,6,8-10,14H2,1-3H3,(H,25,26,27)/t17-/m0/s1
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| InChIKey |
PYGQNXHUOOXVEM-KRWDZBQOSA-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