General Information of the Compound
| Compound ID |
CP0497662
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| Compound Name |
N,N-dimethyl-1-[2-[2-[(2,4,6-tribromophenoxy)methyl]-1-benzothiophen-3-yl]ethyl]piperidin-4-amine
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| Structure |
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| Formula |
C24H27Br3N2OS
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| Molecular Weight |
631.272
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3c(Br)cc(Br)cc3Br)sc3ccccc23)CC1
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| InChI |
InChI=1S/C24H27Br3N2OS/c1-28(2)17-7-10-29(11-8-17)12-9-19-18-5-3-4-6-22(18)31-23(19)15-30-24-20(26)13-16(25)14-21(24)27/h3-6,13-14,17H,7-12,15H2,1-2H3
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| InChIKey |
MHXYNUBOYVIBFZ-UHFFFAOYSA-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