General Information of the Compound
| Compound ID |
CP0833955
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| Compound Name |
(2R,3R,4S,5R)-5-(4-amino-5-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-[[2-(methylamino)-7-quinolyl]oxymethyl]tetrahydrofuran-3-ol
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| Structure |
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| Formula |
C21H20ClFN6O3
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| Molecular Weight |
458.881
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| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Cl)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C21H20ClFN6O3/c1-25-15-5-3-10-2-4-11(6-13(10)28-15)31-8-14-18(30)17(23)21(32-14)29-7-12(22)16-19(24)26-9-27-20(16)29/h2-7,9,14,17-18,21,30H,8H2,1H3,(H,25,28)(H2,24,26,27)/t14-,17+,18-,21-/m1/s1
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| InChIKey |
QGYDWGDOUSDHOL-GCQDIAHQSA-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