General Information of the Compound
| Compound ID |
CP0909961
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| Compound Name |
N-(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(methylsulfonyl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C25H25F2N3O5S
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| Molecular Weight |
517.554
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(S(C)(=O)=O)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C25H25F2N3O5S/c1-34-25-19(4-3-11-28-25)24(31)29-21-15-18(36(2,32)33)6-7-22(21)30-12-9-17(10-13-30)35-23-8-5-16(26)14-20(23)27/h3-8,11,14-15,17H,9-10,12-13H2,1-2H3,(H,29,31)
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| InChIKey |
BVKYNYHBJUMZSM-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