General Information of the Compound
| Compound ID |
CP0970541
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| Compound Name |
7-((5-(4-amino-5-(5-methylfuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-N-methylquinolin-2-amine
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| Formula |
C27H23N7O2
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| Molecular Weight |
477.528
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| Canonical SMILES |
CNc1ccc2ccc(OCc3cncc(-n4cc(-c5ccc(C)o5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C27H23N7O2/c1-16-3-7-23(36-16)21-13-34(27-25(21)26(28)31-15-32-27)19-9-17(11-30-12-19)14-35-20-6-4-18-5-8-24(29-2)33-22(18)10-20/h3-13,15H,14H2,1-2H3,(H,29,33)(H2,28,31,32)
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| InChIKey |
QRYMNZJRRZDRGE-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