General Information of the Compound
| Compound ID |
CP0904010
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| Compound Name |
(1S,5S)-isobutyl 3-(6-(2-chloro-4-cyanophenylamino)-5-fluoropyrimidin-4-yloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
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| Structure |
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| Formula |
C23H25ClFN5O3
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| Molecular Weight |
473.936
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| Canonical SMILES |
CC(C)COC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc(Nc3ccc(C#N)cc3Cl)c1F)C2
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| InChI |
InChI=1S/C23H25ClFN5O3/c1-13(2)11-32-23(31)30-15-4-5-16(30)9-17(8-15)33-22-20(25)21(27-12-28-22)29-19-6-3-14(10-26)7-18(19)24/h3,6-7,12-13,15-17H,4-5,8-9,11H2,1-2H3,(H,27,28,29)/t15-,16-/m0/s1
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| InChIKey |
CECIFRMYUHVHGZ-HOTGVXAUSA-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