General Information of the Compound
| Compound ID |
CP0968179
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| Compound Name |
1-[7-[[(2R,3R,4S,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-2-quinolyl]azetidin-3-ol
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| Structure |
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| Formula |
C27H27FN8O4
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| Molecular Weight |
546.563
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| Canonical SMILES |
Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(N6CC(O)C6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1
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| InChI |
InChI=1S/C27H27FN8O4/c1-34-7-6-18(33-34)17-11-36(26-22(17)25(29)30-13-31-26)27-23(28)24(38)20(40-27)12-39-16-4-2-14-3-5-21(32-19(14)8-16)35-9-15(37)10-35/h2-8,11,13,15,20,23-24,27,37-38H,9-10,12H2,1H3,(H2,29,30,31)/t20-,23+,24-,27-/m1/s1
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| InChIKey |
OTWDXARIYQBLES-WJKQRCEYSA-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