General Information of the Compound
| Compound ID |
CP0497449
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| Compound Name |
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [1-(2-pyrrolidin-1-yl-ethyl)-1H-indol-6-yl]-amide
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| Structure |
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| Formula |
C23H24ClN3O2S2
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| Molecular Weight |
474.051
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| Canonical SMILES |
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2ccn(CCN3CCCC3)c2c1
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| InChI |
InChI=1S/C23H24ClN3O2S2/c1-16-20-14-18(24)5-7-22(20)30-23(16)31(28,29)25-19-6-4-17-8-11-27(21(17)15-19)13-12-26-9-2-3-10-26/h4-8,11,14-15,25H,2-3,9-10,12-13H2,1H3
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| InChIKey |
HAVQSNFOQUEEEC-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