General Information of the Compound
| Compound ID |
CP0968020
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| Compound Name |
7-((5-(4-amino-5-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-2-ethyl-N-methylquinolin-4-amine
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| Structure |
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| Formula |
C28H27N9O
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| Molecular Weight |
505.586
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| Canonical SMILES |
CCc1cc(NC)c2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C28H27N9O/c1-4-18-10-24(30-2)21-6-5-20(11-25(21)34-18)38-15-17-9-19(13-31-12-17)37-14-22(23-7-8-36(3)35-23)26-27(29)32-16-33-28(26)37/h5-14,16H,4,15H2,1-3H3,(H,30,34)(H2,29,32,33)
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| InChIKey |
RFYYSEPOCTXMJJ-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