General Information of the Compound
| Compound ID |
CP0304087
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| Compound Name |
2-(benzenesulfonyl)-N-ethyl-5-piperazin-1-ylaniline
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| Structure |
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| Formula |
C18H23N3O2S
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| Molecular Weight |
345.468
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| Canonical SMILES |
CCNc1cc(ccc1S(=O)(=O)c1ccccc1)N1CCNCC1
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| InChI |
InChI=1S/C18H23N3O2S/c1-2-20-17-14-15(21-12-10-19-11-13-21)8-9-18(17)24(22,23)16-6-4-3-5-7-16/h3-9,14,19-20H,2,10-13H2,1H3
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| InChIKey |
KGAAVMQKNCVQOT-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