General Information of the Compound
| Compound ID |
CP0579976
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| Compound Name |
9-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
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| Structure |
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| Formula |
C22H25N7O2
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| Molecular Weight |
419.489
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| Canonical SMILES |
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCN(CCO)C3)c2n1
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| InChI |
InChI=1S/C22H25N7O2/c1-14-10-18-15(4-3-6-23-18)11-17(14)25-21-24-12-19-20(26-21)29(22(31)27(19)2)16-5-7-28(13-16)8-9-30/h3-4,6,10-12,16,30H,5,7-9,13H2,1-2H3,(H,24,25,26)/t16-/m0/s1
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| InChIKey |
JYWGQRICHVVQIJ-INIZCTEOSA-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