General Information of the Compound
| Compound ID |
CP0176621
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| Compound Name |
(2R,3R,4S,5R)-5-[4-amino-5-(4-methyl-1,3-oxazol-2-yl)pyrrolo[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 |
C27H26FN7O4
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| Molecular Weight |
531.548
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| Canonical SMILES |
Cc1coc(n1)-c1cn([C@@H]2O[C@H](COc3ccc4ccc(nc4c3)N3CCC3)[C@@H](O)[C@@H]2F)c2ncnc(N)c12
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| InChI |
InChI=1S/C27H26FN7O4/c1-14-11-38-26(32-14)17-10-35(25-21(17)24(29)30-13-31-25)27-22(28)23(36)19(39-27)12-37-16-5-3-15-4-6-20(33-18(15)9-16)34-7-2-8-34/h3-6,9-11,13,19,22-23,27,36H,2,7-8,12H2,1H3,(H2,29,30,31)/t19-,22+,23-,27-/m1/s1
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| InChIKey |
LSEFEXOHUPJOTB-HTCVQUQYSA-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