General Information of the Compound
| Compound ID |
CP0952962
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| Compound Name |
(2R,3S,5R)-5-(4-amino-5-cyclopentyl-pyrrolo[2,3-d]pyrimidin-7-yl)-2-[[2-(methylamino)-7-quinolyl]oxymethyl]tetrahydrofuran-3-ol
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| Structure |
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| Formula |
C26H30N6O3
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| Molecular Weight |
474.565
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| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)C[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C26H30N6O3/c1-28-22-9-7-16-6-8-17(10-19(16)31-22)34-13-21-20(33)11-23(35-21)32-12-18(15-4-2-3-5-15)24-25(27)29-14-30-26(24)32/h6-10,12,14-15,20-21,23,33H,2-5,11,13H2,1H3,(H,28,31)(H2,27,29,30)/t20-,21+,23+/m0/s1
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| InChIKey |
GVPWMOGBKCLNKT-QZNHQXDQSA-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