General Information of the Compound
| Compound ID |
CP0522399
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| Compound Name |
3-ethyl-6-(3-methoxyphenylsulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
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| Structure |
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| Formula |
C21H24N2O3S
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| Molecular Weight |
384.501
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| Canonical SMILES |
CCN1CCc2c(CC1)c1ccccc1n2S(=O)(=O)c1cccc(OC)c1
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| InChI |
InChI=1S/C21H24N2O3S/c1-3-22-13-11-19-18-9-4-5-10-20(18)23(21(19)12-14-22)27(24,25)17-8-6-7-16(15-17)26-2/h4-10,15H,3,11-14H2,1-2H3
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| InChIKey |
UJXLHMKOTJUCKL-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