General Information of the Compound
| Compound ID |
CP0970535
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| Compound Name |
7-((5-(4-amino-5-chloro-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 |
C22H18ClN7O
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| Molecular Weight |
431.887
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| Canonical SMILES |
CNc1ccc2ccc(OCc3cncc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C22H18ClN7O/c1-25-19-5-3-14-2-4-16(7-18(14)29-19)31-11-13-6-15(9-26-8-13)30-10-17(23)20-21(24)27-12-28-22(20)30/h2-10,12H,11H2,1H3,(H,25,29)(H2,24,27,28)
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| InChIKey |
LTBYHUNPYHCSPF-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