General Information of the Compound
| Compound ID |
CP0953786
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| Compound Name |
5-Bromo-1-(3-bromo benzenesulfonyl)-3-[2-(4-methyl piperazin-1-yl)ethyl]-1H-indole Dihydrochloride
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| Structure |
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| Formula |
C21H25Br2Cl2N3O2S
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| Molecular Weight |
614.231
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| Canonical SMILES |
CN1CCN(CCc2cn(S(=O)(=O)c3cccc(Br)c3)c3ccc(Br)cc23)CC1.Cl.Cl
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| InChI |
InChI=1S/C21H23Br2N3O2S.2ClH/c1-24-9-11-25(12-10-24)8-7-16-15-26(21-6-5-18(23)14-20(16)21)29(27,28)19-4-2-3-17(22)13-19;;/h2-6,13-15H,7-12H2,1H3;2*1H
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| InChIKey |
OEOIMCZWKKSINU-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