General Information of the Compound
| Compound ID |
CP0835374
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| Compound Name |
(2R,3R,4S,5R)-5-[4-amino-5-(1-methylimidazol-4-yl)pyrrolo[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 |
C25H25FN8O3
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| Molecular Weight |
504.526
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| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5cn(C)cn5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C25H25FN8O3/c1-28-19-6-4-13-3-5-14(7-16(13)32-19)36-10-18-22(35)21(26)25(37-18)34-8-15(17-9-33(2)12-31-17)20-23(27)29-11-30-24(20)34/h3-9,11-12,18,21-22,25,35H,10H2,1-2H3,(H,28,32)(H2,27,29,30)/t18-,21+,22-,25-/m1/s1
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| InChIKey |
HCRXVBCEXCJJSV-LALUYCJQSA-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