General Information of the Compound
| Compound ID |
CP0960266
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| Compound Name |
4-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(2-methoxynicotinamido)-N,N-bis(methyl-d3)picolinamide
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| Structure |
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| Formula |
C26H27F2N5O4
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| Molecular Weight |
517.5656107
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnc2OC)cn1)C([2H])([2H])[2H]
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| InChI |
InChI=1S/C26H27F2N5O4/c1-32(2)26(35)20-14-22(21(15-30-20)31-24(34)18-5-4-10-29-25(18)36-3)33-11-8-17(9-12-33)37-23-7-6-16(27)13-19(23)28/h4-7,10,13-15,17H,8-9,11-12H2,1-3H3,(H,31,34)/i1D3,2D3
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| InChIKey |
BZWZIHDBTPHSPG-WFGJKAKNSA-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