General Information of the Compound
| Compound ID |
CP0268596
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| Compound Name |
(E)-1-(4-ethylphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
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| Structure |
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| Formula |
C20H23NO2S
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| Molecular Weight |
341.476
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N1CCC=C(CC1)c1ccccc1
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| InChI |
InChI=1S/C20H23NO2S/c1-2-17-10-12-20(13-11-17)24(22,23)21-15-6-9-19(14-16-21)18-7-4-3-5-8-18/h3-5,7-13H,2,6,14-16H2,1H3
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| InChIKey |
NXQBBXTUSQENCG-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