General Information of the Compound
| Compound ID |
CP0562953
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| Compound Name |
(2R,3R,4S,5R)-5-[4-amino-5-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-fluoro-2-[[2-(methylamino)quinolin-7-yl]oxymethyl]oxolan-3-ol
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| Structure |
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| Formula |
C26H25FN6O4
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| Molecular Weight |
504.522
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| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@H]([C@@H](F)[C@@H]3O)n3cc(-c4ccc(C)o4)c4c(N)ncnc34)cc2n1
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| InChI |
InChI=1S/C26H25FN6O4/c1-13-3-7-18(36-13)16-10-33(25-21(16)24(28)30-12-31-25)26-22(27)23(34)19(37-26)11-35-15-6-4-14-5-8-20(29-2)32-17(14)9-15/h3-10,12,19,22-23,26,34H,11H2,1-2H3,(H,29,32)(H2,28,30,31)/t19-,22+,23-,26-/m1/s1
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| InChIKey |
NXBVBKOWYLKALW-XQZLXVFMSA-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