General Information of the Compound
| Compound ID |
CP0911520
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| Compound Name |
(E)-3-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)propylcarbamoyl)-2,4-dimethylpyridine 1-oxide
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| Structure |
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| Formula |
C25H33BrN4O3
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| Molecular Weight |
517.468
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| Canonical SMILES |
CCO/N=C(/c1ccc(Br)cc1)C1CCN(CCCNC(=O)c2c(C)cc[n+]([O-])c2C)CC1
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| InChI |
InChI=1S/C25H33BrN4O3/c1-4-33-28-24(20-6-8-22(26)9-7-20)21-11-15-29(16-12-21)14-5-13-27-25(31)23-18(2)10-17-30(32)19(23)3/h6-10,17,21H,4-5,11-16H2,1-3H3,(H,27,31)/b28-24-
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| InChIKey |
WOHAHAIFRBHKOX-COOPMVRXSA-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