General Information of the Compound
| Compound ID |
CP0835370
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| Compound Name |
(2R,3R,4S,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-[[2-ethyl-4-(methylamino)-7-quinolyl]oxymethyl]-4-fluoro-tetrahydrofuran-3-ol
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| Structure |
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| Formula |
C27H29FN8O3
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| Molecular Weight |
532.58
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| Canonical SMILES |
CCc1cc(NC)c2ccc(OC[C@H]3O[C@@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C27H29FN8O3/c1-4-14-9-19(30-2)16-6-5-15(10-20(16)33-14)38-12-21-24(37)23(28)27(39-21)36-11-17(18-7-8-35(3)34-18)22-25(29)31-13-32-26(22)36/h5-11,13,21,23-24,27,37H,4,12H2,1-3H3,(H,30,33)(H2,29,31,32)/t21-,23+,24-,27-/m1/s1
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| InChIKey |
HLTFGQFHFVEFTL-IFZRMHHFSA-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