General Information of the Compound
| Compound ID |
CP0427892
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| Compound Name |
N,N-dimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]ethanamine
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| Structure |
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| Formula |
C19H19F3N2O2S
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| Molecular Weight |
396.434
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| Canonical SMILES |
CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C19H19F3N2O2S/c1-23(2)12-11-14-13-24(18-6-4-3-5-17(14)18)27(25,26)16-9-7-15(8-10-16)19(20,21)22/h3-10,13H,11-12H2,1-2H3
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| InChIKey |
PILGJCGURQEIFR-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