General Information of the Compound
| Compound ID |
CP0254730
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| Compound Name |
1-(3-methoxyphenylsulfonyl)-1,5,6,7,8,9-hexahydroazepino[4,5-f]indole
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| Structure |
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| Formula |
C19H20N2O3S
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| Molecular Weight |
356.447
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)n1ccc2cc3CCNCCc3cc12
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| InChI |
InChI=1S/C19H20N2O3S/c1-24-17-3-2-4-18(13-17)25(22,23)21-10-7-16-11-14-5-8-20-9-6-15(14)12-19(16)21/h2-4,7,10-13,20H,5-6,8-9H2,1H3
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| InChIKey |
XPTXBBCZWWFNRD-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