General Information of the Compound
| Compound ID |
CP0541205
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| Compound Name |
(E)-N-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)-3-methylbutyl)-3,5-dichloroisonicotinamide
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| Structure |
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| Formula |
C25H31BrCl2N4O2
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| Molecular Weight |
570.359
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| Canonical SMILES |
CCO\N=C(/C1CCN(CC1)C(C)(C)CCNC(=O)c1c(Cl)cncc1Cl)c1ccc(Br)cc1
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| InChI |
InChI=1S/C25H31BrCl2N4O2/c1-4-34-31-23(17-5-7-19(26)8-6-17)18-9-13-32(14-10-18)25(2,3)11-12-30-24(33)22-20(27)15-29-16-21(22)28/h5-8,15-16,18H,4,9-14H2,1-3H3,(H,30,33)/b31-23-
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| InChIKey |
CITGLVKZCQUVCD-SXBRIOAWSA-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