General Information of the Compound
| Compound ID |
CP0959228
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| Compound Name |
7-((5-(4-amino-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 |
C22H19N7O
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| Molecular Weight |
397.442
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| Canonical SMILES |
CNc1ccc2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C22H19N7O/c1-24-20-5-3-15-2-4-17(9-19(15)28-20)30-12-14-8-16(11-25-10-14)29-7-6-18-21(23)26-13-27-22(18)29/h2-11,13H,12H2,1H3,(H,24,28)(H2,23,26,27)
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| InChIKey |
PJUDASBCCYGEHY-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