General Information of the Compound
| Compound ID |
CP0959225
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| Compound Name |
7-((5-(4-amino-6-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-N-methylquinolin-2-amine
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| Structure |
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| Formula |
C23H21N7O
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| Molecular Weight |
411.469
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| Canonical SMILES |
CNc1ccc2ccc(OCc3cncc(-c4c(C)[nH]c5c(N)ncnc45)c3)cc2n1
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| InChI |
InChI=1S/C23H21N7O/c1-13-20(21-22(29-13)23(24)28-12-27-21)16-7-14(9-26-10-16)11-31-17-5-3-15-4-6-19(25-2)30-18(15)8-17/h3-10,12,29H,11H2,1-2H3,(H,25,30)(H2,24,27,28)
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| InChIKey |
CQMBJOIFCUKSTM-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