General Information of the Compound
| Compound ID |
CP0441457
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| Compound Name |
6-(4-(trifluoromethyl)phenylsulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
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| Structure |
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| Formula |
C19H17F3N2O2S
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| Molecular Weight |
394.418
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)S(=O)(=O)n1c2CCNCCc2c2ccccc12
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| InChI |
InChI=1S/C19H17F3N2O2S/c20-19(21,22)13-5-7-14(8-6-13)27(25,26)24-17-4-2-1-3-15(17)16-9-11-23-12-10-18(16)24/h1-8,23H,9-12H2
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| InChIKey |
PGWJLYFTXTXCRO-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