General Information of the Compound
| Compound ID |
CP0833923
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| Compound Name |
(2R,3R,4S,5R)-5-(4-amino-5-oxazol-2-yl-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 |
C24H22FN7O4
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| Molecular Weight |
491.483
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| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(-c5ncco5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C24H22FN7O4/c1-27-17-5-3-12-2-4-13(8-15(12)31-17)35-10-16-20(33)19(25)24(36-16)32-9-14(23-28-6-7-34-23)18-21(26)29-11-30-22(18)32/h2-9,11,16,19-20,24,33H,10H2,1H3,(H,27,31)(H2,26,29,30)/t16-,19+,20-,24-/m1/s1
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| InChIKey |
JNVQANHOIQVVRL-XQEONZBOSA-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