General Information of the Compound
| Compound ID |
CP0929038
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| Compound Name |
1-[(2-Bromophenyl)sulfonyl]-5-methoxy-3-[(1-piperazinyl)-methyl]-1H-indole Dimesylate Dihydrate
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| Structure |
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| Formula |
C22H34BrN3O11S3
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| Molecular Weight |
692.629
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| Canonical SMILES |
COc1ccc2c(c1)c(CN1CCNCC1)cn2S(=O)(=O)c1ccccc1Br.CS(=O)(=O)O.CS(=O)(=O)O.O.O
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| InChI |
InChI=1S/C20H22BrN3O3S.2CH4O3S.2H2O/c1-27-16-6-7-19-17(12-16)15(13-23-10-8-22-9-11-23)14-24(19)28(25,26)20-5-3-2-4-18(20)21;2*1-5(2,3)4;;/h2-7,12,14,22H,8-11,13H2,1H3;2*1H3,(H,2,3,4);2*1H2
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| InChIKey |
HNTMIXBCJUGFQI-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