General Information of the Compound
| Compound ID |
CP0968361
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| Compound Name |
(2R,3R,4S,5R)-5-(4-amino-5-cyclopentyl-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 |
C26H29FN6O3
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| Molecular Weight |
492.555
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| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C26H29FN6O3/c1-29-20-9-7-15-6-8-16(10-18(15)32-20)35-12-19-23(34)22(27)26(36-19)33-11-17(14-4-2-3-5-14)21-24(28)30-13-31-25(21)33/h6-11,13-14,19,22-23,26,34H,2-5,12H2,1H3,(H,29,32)(H2,28,30,31)/t19-,22+,23-,26-/m1/s1
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| InChIKey |
MLWSIQHUCSUOHY-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