General Information of the Compound
| Compound ID |
CP0970533
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| Compound Name |
7-((5-(4-amino-5-(1-methyl-1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-N-methylquinolin-2-amine
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| Structure |
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| Formula |
C26H23N9O
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| Molecular Weight |
477.532
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| Canonical SMILES |
CNc1ccc2ccc(OCc3cncc(-n4cc(-c5ccnn5C)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C26H23N9O/c1-28-23-6-4-17-3-5-19(10-21(17)33-23)36-14-16-9-18(12-29-11-16)35-13-20(22-7-8-32-34(22)2)24-25(27)30-15-31-26(24)35/h3-13,15H,14H2,1-2H3,(H,28,33)(H2,27,30,31)
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| InChIKey |
VAZCIDBCHRWUPK-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