General Information of the Compound
| Compound ID |
CP0565527
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| Compound Name |
1-(2-bromophenyl)sulfonyl-4-chloro-3-[(4-methylpiperazin-1-yl)methyl]indole
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| Structure |
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| Formula |
C20H21BrClN3O2S
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| Molecular Weight |
482.831
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| Canonical SMILES |
CN1CCN(Cc2cn(c3cccc(Cl)c23)S(=O)(=O)c2ccccc2Br)CC1
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| InChI |
InChI=1S/C20H21BrClN3O2S/c1-23-9-11-24(12-10-23)13-15-14-25(18-7-4-6-17(22)20(15)18)28(26,27)19-8-3-2-5-16(19)21/h2-8,14H,9-13H2,1H3
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| InChIKey |
HJZLVBHEEHLAFX-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