General Information of the Compound
| Compound ID |
CP0899348
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| Compound Name |
(2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[methoxyimino-(4-trifluoromethyl-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone
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| Structure |
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| Formula |
C28H35F3N4O3
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| Molecular Weight |
532.607
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| Canonical SMILES |
CO/N=C(\c1ccc(C(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/C28H35F3N4O3/c1-19-9-16-35(37)20(2)24(19)26(36)33-17-12-27(3,13-18-33)34-14-10-22(11-15-34)25(32-38-4)21-5-7-23(8-6-21)28(29,30)31/h5-9,16,22H,10-15,17-18H2,1-4H3/b32-25+
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| InChIKey |
JOMKXVYAEOFACX-WGPBWIAQSA-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