General Information of the Compound
| Compound ID |
CP0949924
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| Compound Name |
(2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-trifluoromethoxy-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone
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| Structure |
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| Formula |
C29H37F3N4O4
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| Molecular Weight |
562.633
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| Canonical SMILES |
CCO/N=C(\c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1
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| InChI |
InChI=1S/C29H37F3N4O4/c1-5-39-33-26(22-6-8-24(9-7-22)40-29(30,31)32)23-11-15-35(16-12-23)28(4)13-18-34(19-14-28)27(37)25-20(2)10-17-36(38)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b33-26+
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| InChIKey |
MTHXVPHSKKLNEE-MHTZHOPKSA-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