General Information of the Compound
| Compound ID |
CP0456180
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| Compound Name |
3-ethyl-6-(phenylsulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
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| Structure |
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| Formula |
C20H22N2O2S
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| Molecular Weight |
354.475
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| Canonical SMILES |
CCN1CCc2c(CC1)c1ccccc1n2S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H22N2O2S/c1-2-21-14-12-18-17-10-6-7-11-19(17)22(20(18)13-15-21)25(23,24)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
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| InChIKey |
LDFDDPSORNXELF-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