General Information of the Compound
| Compound ID |
CP0388346
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| Compound Name |
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
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| Structure |
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| Formula |
C24H33N5O3S
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| Molecular Weight |
471.627
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(ncc2O1)C1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H33N5O3S/c1-3-17-14-26-24(27-15-17)28-8-4-19(5-9-28)22-13-20-12-21(25-16-23(20)32-22)18-6-10-29(11-7-18)33(2,30)31/h12,14-16,18-19,22H,3-11,13H2,1-2H3
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| InChIKey |
ACOOCLBBJBYZLG-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