General Information of the Compound
| Compound ID |
CP0910882
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| Compound Name |
(E)-3-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)butylcarbamoyl)-2,4-dimethylpyridine 1-oxide
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| Structure |
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| Formula |
C26H35BrN4O3
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| Molecular Weight |
531.495
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| Canonical SMILES |
CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)CCNC(=O)c2c(C)cc[n+]([O-])c2C)CC1
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| InChI |
InChI=1S/C26H35BrN4O3/c1-5-34-29-25(21-6-8-23(27)9-7-21)22-12-15-30(16-13-22)19(3)10-14-28-26(32)24-18(2)11-17-31(33)20(24)4/h6-9,11,17,19,22H,5,10,12-16H2,1-4H3,(H,28,32)/b29-25-
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| InChIKey |
GEYYQZXVIKGZHP-GNVQSUKOSA-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