General Information of the Compound
| Compound ID |
CP0532857
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| Compound Name |
(1-methylcyclopropyl) 9-[5-fluoro-6-(2-fluorophenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
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| Structure |
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| Formula |
C22H23F2N3O5
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| Molecular Weight |
447.438
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| Canonical SMILES |
CC1(CC1)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2ccccc2F)c1F
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| InChI |
InChI=1S/C22H23F2N3O5/c1-22(6-7-22)32-21(28)27-8-13-10-29-11-14(9-27)18(13)31-20-17(24)19(25-12-26-20)30-16-5-3-2-4-15(16)23/h2-5,12-14,18H,6-11H2,1H3
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| InChIKey |
KMRHDSYHWXWXHJ-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