General Information of the Compound
| Compound ID |
CP0279371
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| Compound Name |
6-(2-methoxyphenylsulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]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 |
COc1ccccc1S(=O)(=O)n1c2CCNCCc2c2ccccc12
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| InChI |
InChI=1S/C19H20N2O3S/c1-24-18-8-4-5-9-19(18)25(22,23)21-16-7-3-2-6-14(16)15-10-12-20-13-11-17(15)21/h2-9,20H,10-13H2,1H3
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| InChIKey |
PBVVAYNTOZMIGX-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