General Information of the Compound
| Compound ID |
CP0393156
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| Compound Name |
1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-piperazin-1-ylindole
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| Structure |
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| Formula |
C21H20ClN3O2S2
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| Molecular Weight |
445.997
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| Canonical SMILES |
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)n1ccc2c(cccc12)N1CCNCC1
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| InChI |
InChI=1S/C21H20ClN3O2S2/c1-14-17-13-15(22)5-6-20(17)28-21(14)29(26,27)25-10-7-16-18(3-2-4-19(16)25)24-11-8-23-9-12-24/h2-7,10,13,23H,8-9,11-12H2,1H3
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| InChIKey |
BWSUCEKJIUFWEW-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