General Information of the Compound
| Compound ID |
CP0835373
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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]-2-[[2-(ethylamino)-7-quinolyl]oxymethyl]-4-fluoro-tetrahydrofuran-3-ol
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| Structure |
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| Formula |
C26H27FN8O3
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| Molecular Weight |
518.553
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| Canonical SMILES |
CCNc1ccc2ccc(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/C26H27FN8O3/c1-3-29-20-7-5-14-4-6-15(8-17(14)33-20)37-11-19-23(36)22(27)26(38-19)35-9-16(18-10-34(2)13-32-18)21-24(28)30-12-31-25(21)35/h4-10,12-13,19,22-23,26,36H,3,11H2,1-2H3,(H,29,33)(H2,28,30,31)/t19-,22+,23-,26-/m1/s1
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| InChIKey |
LUOQYHYFHBUMIB-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