General Information of the Compound
| Compound ID |
CP0965622
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| Compound Name |
2-[1-(5-Ethylpyrimidin-2-yl)-piperidin-4-yl]-5-(2-fluoro-4-methanesulfonyl-phenyl)furo[2,3-c]pyridine
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| Structure |
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| Formula |
C25H25FN4O3S
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| Molecular Weight |
480.565
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| Canonical SMILES |
CCc1cnc(N2CCC(c3cc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc4o3)CC2)nc1
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| InChI |
InChI=1S/C25H25FN4O3S/c1-3-16-13-28-25(29-14-16)30-8-6-17(7-9-30)23-11-18-10-22(27-15-24(18)33-23)20-5-4-19(12-21(20)26)34(2,31)32/h4-5,10-15,17H,3,6-9H2,1-2H3
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| InChIKey |
HYKXKTJKJVPBLP-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