General Information of the Compound
| Compound ID |
CP0039674
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| Compound Name |
1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
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| Structure |
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| Formula |
C19H19BrN2O2S
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| Molecular Weight |
419.344
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| Canonical SMILES |
CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1Br
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| InChI |
InChI=1S/C19H19BrN2O2S/c1-21-11-10-14(12-21)16-13-22(18-8-4-2-6-15(16)18)25(23,24)19-9-5-3-7-17(19)20/h2-9,13-14H,10-12H2,1H3
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| InChIKey |
NJAWBWFJLFGUHK-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