General Information of the Compound
| Compound ID |
CP0536560
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| Compound Name |
propan-2-yl (1S,5S)-3-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
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| Structure |
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| Formula |
C22H23ClFN5O3
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| Molecular Weight |
459.909
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| Canonical SMILES |
CC(C)OC(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2Cl)C#N)c1F
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| InChI |
InChI=1S/C22H23ClFN5O3/c1-12(2)31-22(30)29-14-4-5-15(29)9-16(8-14)32-21-19(24)20(26-11-27-21)28-18-6-3-13(10-25)7-17(18)23/h3,6-7,11-12,14-16H,4-5,8-9H2,1-2H3,(H,26,27,28)/t14-,15-/m0/s1
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| InChIKey |
SMJQLJGGSGVIGM-GJZGRUSLSA-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