General Information of the Compound
| Compound ID |
CP0444464
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| Compound Name |
(2R,3R,4S,5R)-5-(4-amino-5-pyrazol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-2-[[2-(azetidin-1-yl)quinolin-7-yl]oxymethyl]-4-fluorooxolan-3-ol
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| Structure |
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| Formula |
C26H25FN8O3
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| Molecular Weight |
516.537
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| Canonical SMILES |
Nc1ncnc2n(cc(-n3cccn3)c12)[C@@H]1O[C@H](COc2ccc3ccc(nc3c2)N2CCC2)[C@@H](O)[C@@H]1F
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| InChI |
InChI=1S/C26H25FN8O3/c27-22-23(36)19(13-37-16-5-3-15-4-6-20(32-17(15)11-16)33-8-2-9-33)38-26(22)34-12-18(35-10-1-7-31-35)21-24(28)29-14-30-25(21)34/h1,3-7,10-12,14,19,22-23,26,36H,2,8-9,13H2,(H2,28,29,30)/t19-,22+,23-,26-/m1/s1
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| InChIKey |
WNEFJCINASUYMQ-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