General Information of the Compound
| Compound ID |
CP0524498
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| Compound Name |
1-(2-Bromo benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-indole
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| Structure |
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| Formula |
C19H20BrN3O2S
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| Molecular Weight |
434.359
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| Canonical SMILES |
Brc1ccccc1S(=O)(=O)n1ccc2cc(CN3CCNCC3)ccc12
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| InChI |
InChI=1S/C19H20BrN3O2S/c20-17-3-1-2-4-19(17)26(24,25)23-10-7-16-13-15(5-6-18(16)23)14-22-11-8-21-9-12-22/h1-7,10,13,21H,8-9,11-12,14H2
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| InChIKey |
YVJQJQVYSLLHSJ-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