General Information of the Compound
| Compound ID |
CP0944329
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| Compound Name |
(2R,3R,4S,5R)-5-(4-aminopyrrolo[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 |
C21H21FN6O3
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| Molecular Weight |
424.436
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| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C21H21FN6O3/c1-24-16-5-3-11-2-4-12(8-14(11)27-16)30-9-15-18(29)17(22)21(31-15)28-7-6-13-19(23)25-10-26-20(13)28/h2-8,10,15,17-18,21,29H,9H2,1H3,(H,24,27)(H2,23,25,26)/t15-,17+,18-,21-/m1/s1
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| InChIKey |
CSANZLJSAQBTMB-LNNXQNCSSA-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