General Information of the Compound
| Compound ID |
CP0968044
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| Compound Name |
7-(2-(5-(4-amino-5-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)ethyl)-N-methylquinolin-2-amine
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| Structure |
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| Formula |
C27H25N9
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| Molecular Weight |
475.56
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| Canonical SMILES |
CNc1ccc2ccc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C27H25N9/c1-29-24-8-7-19-6-5-17(12-23(19)33-24)3-4-18-11-20(14-30-13-18)36-15-21(22-9-10-35(2)34-22)25-26(28)31-16-32-27(25)36/h5-16H,3-4H2,1-2H3,(H,29,33)(H2,28,31,32)
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| InChIKey |
ONFDWLQROYYDPM-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