General Information of the Compound
| Compound ID |
CP0967183
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| Compound Name |
(2R,3R,4S,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-[[2-(cyclobutylamino)-7-quinolyl]oxymethyl]-4-fluoro-tetrahydrofuran-3-ol
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| Structure |
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| Formula |
C28H29FN8O3
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| Molecular Weight |
544.591
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| Canonical SMILES |
Cn1ccc(-c2cn([C@@H]3O[C@H](COc4ccc5ccc(NC6CCC6)nc5c4)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)n1
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| InChI |
InChI=1S/C28H29FN8O3/c1-36-10-9-19(35-36)18-12-37(27-23(18)26(30)31-14-32-27)28-24(29)25(38)21(40-28)13-39-17-7-5-15-6-8-22(34-20(15)11-17)33-16-3-2-4-16/h5-12,14,16,21,24-25,28,38H,2-4,13H2,1H3,(H,33,34)(H2,30,31,32)/t21-,24+,25-,28-/m1/s1
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| InChIKey |
ZJUJBZOCFMIOOJ-UWQCJCJPSA-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