General Information of the Compound
| Compound ID |
CP0967202
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| Compound Name |
7-((6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrazin-2-yl)methoxy)-N-methylquinolin-2-amine
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| Structure |
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| Formula |
C21H18N8O
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| Molecular Weight |
398.43
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| Canonical SMILES |
CNc1ccc2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)n3)cc2n1
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| InChI |
InChI=1S/C21H18N8O/c1-23-18-5-3-13-2-4-15(8-17(13)28-18)30-11-14-9-24-10-19(27-14)29-7-6-16-20(22)25-12-26-21(16)29/h2-10,12H,11H2,1H3,(H,23,28)(H2,22,25,26)
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| InChIKey |
KNIHEWZKHHTTFR-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