General Information of the Compound
| Compound ID |
CP0571631
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| Compound Name |
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]purin-8-one
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| Structure |
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| Formula |
C23H25N7O2
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| Molecular Weight |
431.5
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| Canonical SMILES |
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCN(C3)C3COC3)c2n1
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| InChI |
InChI=1S/C23H25N7O2/c1-14-8-19-15(4-3-6-24-19)9-18(14)26-22-25-10-20-21(27-22)30(23(31)28(20)2)16-5-7-29(11-16)17-12-32-13-17/h3-4,6,8-10,16-17H,5,7,11-13H2,1-2H3,(H,25,26,27)/t16-/m0/s1
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| InChIKey |
QOEXHRDRWNBICP-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