General Information of the Compound
| Compound ID |
CP0412044
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| Compound Name |
cyclobutyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
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| Structure |
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| Formula |
C23H23ClFN5O4
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| Molecular Weight |
487.919
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| Canonical SMILES |
Fc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC1CCC1
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| InChI |
InChI=1S/C23H23ClFN5O4/c24-17-6-13(7-26)4-5-18(17)29-21-19(25)22(28-12-27-21)34-20-14-8-30(9-15(20)11-32-10-14)23(31)33-16-2-1-3-16/h4-6,12,14-16,20H,1-3,8-11H2,(H,27,28,29)
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| InChIKey |
UVZZEDRNPHNBFJ-UHFFFAOYSA-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