General Information of the Compound
| Compound ID |
CP0444463
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| Compound Name |
(2R,3R,4S,5R)-2-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-[[2-(methylamino)quinolin-7-yl]oxymethyl]oxolane-3,4-diol
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| Structure |
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| Formula |
C25H26N8O4
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| Molecular Weight |
502.535
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| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cc(-c4ccn(C)n4)c4c(N)ncnc34)cc2n1
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| InChI |
InChI=1S/C25H26N8O4/c1-27-19-6-4-13-3-5-14(9-17(13)30-19)36-11-18-21(34)22(35)25(37-18)33-10-15(16-7-8-32(2)31-16)20-23(26)28-12-29-24(20)33/h3-10,12,18,21-22,25,34-35H,11H2,1-2H3,(H,27,30)(H2,26,28,29)/t18-,21-,22-,25-/m1/s1
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| InChIKey |
RVDZYKPXBFJYRB-PXOHRUDZSA-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