General Information of the Compound
| Compound ID |
CP0469197
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| Compound Name |
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [1-(2-dimethylamino-ethyl)-2-methyl-1H-indol-4-yl]-amide
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| Structure |
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| Formula |
C22H24ClN3O2S2
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| Molecular Weight |
462.04
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| Canonical SMILES |
CN(C)CCn1c(C)cc2c(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cccc12
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| InChI |
InChI=1S/C22H24ClN3O2S2/c1-14-12-18-19(6-5-7-20(18)26(14)11-10-25(3)4)24-30(27,28)22-15(2)17-13-16(23)8-9-21(17)29-22/h5-9,12-13,24H,10-11H2,1-4H3
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| InChIKey |
MJLYOTHQZJNIQC-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