General Information of the Compound
| Compound ID |
CP0894716
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| Compound Name |
5-Chloro-2-methyl-benzo[b]thiophene-3-sulfonic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
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| Structure |
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| Formula |
C21H24ClN3O3S2
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| Molecular Weight |
466.028
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)c2c(C)sc3ccc(Cl)cc23)cc1N1CCN(C)CC1
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| InChI |
InChI=1S/C21H24ClN3O3S2/c1-14-21(17-12-15(22)4-7-20(17)29-14)30(26,27)23-16-5-6-19(28-3)18(13-16)25-10-8-24(2)9-11-25/h4-7,12-13,23H,8-11H2,1-3H3
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| InChIKey |
JFZVYBXFMIEONX-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