General Information of the Compound
| Compound ID |
CP0530346
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| Compound Name |
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2-fluoro-6-(trifluoromethyl)phenyl]methanone
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| Structure |
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| Formula |
C28H32BrF4N3O2
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| Molecular Weight |
598.479
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| Canonical SMILES |
CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(F)cccc1C(F)(F)F)c1ccc(Br)cc1
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| InChI |
InChI=1S/C28H32BrF4N3O2/c1-3-38-34-25(19-7-9-21(29)10-8-19)20-11-15-36(16-12-20)27(2)13-17-35(18-14-27)26(37)24-22(28(31,32)33)5-4-6-23(24)30/h4-10,20H,3,11-18H2,1-2H3/b34-25+
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| InChIKey |
XBGWFPDHOIKUGB-YQCHCMBFSA-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