General Information of the Compound
Compound ID |
CP0235339
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Compound Name |
N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]-1-benzothiophene-3-sulfonamide
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Structure |
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Formula |
C22H24N2O2S2
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Molecular Weight |
412.58
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Canonical SMILES |
CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3csc4ccccc34)cc12
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InChI |
InChI=1S/C22H24N2O2S2/c1-15-12-16-8-9-17(13-20(16)18(15)10-11-24(2)3)23-28(25,26)22-14-27-21-7-5-4-6-19(21)22/h4-9,13-14,23H,10-12H2,1-3H3
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InChIKey |
XWXCMQFSARGQNK-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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