General Information of the Compound
| Compound ID |
CP0835466
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| Compound Name |
(2R,3R,4S,5R)-2-(4-amino-5-cyclopentyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-[[2-(methylamino)-7-quinolyl]oxymethyl]tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C26H30N6O4
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| Molecular Weight |
490.564
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| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C26H30N6O4/c1-28-20-9-7-15-6-8-16(10-18(15)31-20)35-12-19-22(33)23(34)26(36-19)32-11-17(14-4-2-3-5-14)21-24(27)29-13-30-25(21)32/h6-11,13-14,19,22-23,26,33-34H,2-5,12H2,1H3,(H,28,31)(H2,27,29,30)/t19-,22-,23-,26-/m1/s1
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| InChIKey |
ZCHZOTXCLWRNTF-VJUOEERUSA-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