General Information of the Compound
| Compound ID |
CP0484146
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| Compound Name |
N,N-dimethyl-2-[3-[2-(trifluoromethoxy)phenyl]sulfonylindol-1-yl]ethanamine
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| Structure |
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| Formula |
C19H19F3N2O3S
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| Molecular Weight |
412.433
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| Canonical SMILES |
CN(C)CCn1cc(c2ccccc12)S(=O)(=O)c1ccccc1OC(F)(F)F
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| InChI |
InChI=1S/C19H19F3N2O3S/c1-23(2)11-12-24-13-18(14-7-3-4-8-15(14)24)28(25,26)17-10-6-5-9-16(17)27-19(20,21)22/h3-10,13H,11-12H2,1-2H3
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| InChIKey |
JIRADRSBOPYPKZ-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