General Information of the Compound
| Compound ID |
CP0963451
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| Compound Name |
N-(5-(acetamidomethyl)-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)pyridin-3-yl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C26H27F2N5O4
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| Molecular Weight |
511.529
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(CNC(C)=O)cnc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C26H27F2N5O4/c1-16(34)30-14-17-12-22(32-25(35)20-4-3-9-29-26(20)36-2)24(31-15-17)33-10-7-19(8-11-33)37-23-6-5-18(27)13-21(23)28/h3-6,9,12-13,15,19H,7-8,10-11,14H2,1-2H3,(H,30,34)(H,32,35)
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| InChIKey |
VZIXUUTUEZJTPY-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