General Information of the Compound
| Compound ID |
CP0951032
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| Compound Name |
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[2-(dimethylamino)-7-quinolyl]oxymethyl]tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C22H24N6O4
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| Molecular Weight |
436.472
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| Canonical SMILES |
CN(C)c1ccc2ccc(OC[C@H]3O[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C22H24N6O4/c1-27(2)17-6-4-12-3-5-13(9-15(12)26-17)31-10-16-18(29)19(30)22(32-16)28-8-7-14-20(23)24-11-25-21(14)28/h3-9,11,16,18-19,22,29-30H,10H2,1-2H3,(H2,23,24,25)/t16-,18-,19-,22-/m1/s1
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| InChIKey |
WAAMFRLMPUTKHA-WGQQHEPDSA-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