General Information of the Compound
| Compound ID |
CP0968495
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| Compound Name |
(2R,3R,4S,5R)-5-(4-amino-5-cyclopropyl-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 |
C24H25FN6O3
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| Molecular Weight |
464.501
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| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(C5CC5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C24H25FN6O3/c1-27-18-7-5-13-4-6-14(8-16(13)30-18)33-10-17-21(32)20(25)24(34-17)31-9-15(12-2-3-12)19-22(26)28-11-29-23(19)31/h4-9,11-12,17,20-21,24,32H,2-3,10H2,1H3,(H,27,30)(H2,26,28,29)/t17-,20+,21-,24-/m1/s1
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| InChIKey |
PYJYPCQUPPXWKE-CXEBNRJLSA-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