General Information of the Compound
| Compound ID |
CP0452979
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| Compound Name |
1-[3-(benzenesulfonyl)-1-benzothiophen-7-yl]piperazine
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| Structure |
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| Formula |
C18H18N2O2S2
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| Molecular Weight |
358.488
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| Canonical SMILES |
O=S(=O)(c1csc2c(cccc12)N1CCNCC1)c1ccccc1
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| InChI |
InChI=1S/C18H18N2O2S2/c21-24(22,14-5-2-1-3-6-14)17-13-23-18-15(17)7-4-8-16(18)20-11-9-19-10-12-20/h1-8,13,19H,9-12H2
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| InChIKey |
HDLSZDFKDVHVEL-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