General Information of the Compound
| Compound ID |
CP0868027
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| Compound Name |
5-(2-Fluoro-4-methanesulfonylphenyl)-2-[1-(1-trifluoromethyl-cyclopropylmethyl)-piperidin-4-yl]furo[2,3-c]pyridine
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| Structure |
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| Formula |
C24H24F4N2O3S
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| Molecular Weight |
496.526
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| Canonical SMILES |
CS(=O)(=O)c1ccc(-c2cc3cc(C4CCN(CC5(C(F)(F)F)CC5)CC4)oc3cn2)c(F)c1
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| InChI |
InChI=1S/C24H24F4N2O3S/c1-34(31,32)17-2-3-18(19(25)12-17)20-10-16-11-21(33-22(16)13-29-20)15-4-8-30(9-5-15)14-23(6-7-23)24(26,27)28/h2-3,10-13,15H,4-9,14H2,1H3
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| InChIKey |
XXDWHMPWRBYCOF-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