General Information of the Compound
| Compound ID |
CP0437594
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| Compound Name |
N-[3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C17H19F3N2O3S
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| Molecular Weight |
388.411
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| Canonical SMILES |
CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H19F3N2O3S/c1-22(2)11-12-10-14(21-26(3,23)24)6-9-16(12)25-15-7-4-13(5-8-15)17(18,19)20/h4-10,21H,11H2,1-3H3
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| InChIKey |
FCXKPNHKJPFYSO-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter