General Information of the Compound
| Compound ID |
CP0961981
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| Compound Name |
4-[5-(2-Fluoro-4-methanesulfonylphenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C24H27FN2O5S
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| Molecular Weight |
474.554
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1
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| InChI |
InChI=1S/C24H27FN2O5S/c1-24(2,3)32-23(28)27-9-7-15(8-10-27)21-12-16-11-20(26-14-22(16)31-21)18-6-5-17(13-19(18)25)33(4,29)30/h5-6,11-15H,7-10H2,1-4H3
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| InChIKey |
JGVNAKKLHCGAMA-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