General Information of the Compound
| Compound ID |
CP0942773
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| Compound Name |
4-[5-(4-Methanesulfonylphenyl)-furo[2,3-c]pyridin-2-yl]-4-methyl-piperidine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C25H30N2O5S
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| Molecular Weight |
470.591
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(C)(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc3o2)CC1
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| InChI |
InChI=1S/C25H30N2O5S/c1-24(2,3)32-23(28)27-12-10-25(4,11-13-27)22-15-18-14-20(26-16-21(18)31-22)17-6-8-19(9-7-17)33(5,29)30/h6-9,14-16H,10-13H2,1-5H3
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| InChIKey |
ZCOVRALDKRKUNL-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