General Information of the Compound
| Compound ID |
CP0543201
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| Compound Name |
1-[4-[[1-(2-bromophenyl)sulfonylindol-3-yl]methyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C21H22BrN3O3S
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| Molecular Weight |
476.396
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| Canonical SMILES |
CC(=O)N1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccccc2Br)CC1
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| InChI |
InChI=1S/C21H22BrN3O3S/c1-16(26)24-12-10-23(11-13-24)14-17-15-25(20-8-4-2-6-18(17)20)29(27,28)21-9-5-3-7-19(21)22/h2-9,15H,10-14H2,1H3
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| InChIKey |
LYEUXDCTEXBXQB-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