General Information of the Compound
| Compound ID |
CP0433911
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| Compound Name |
N-[[3-[(dimethylamino)methyl]-4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]methanesulfonamide
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| Structure |
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| Formula |
C18H21F3N2O4S
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| Molecular Weight |
418.437
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| Canonical SMILES |
CN(C)Cc1cc(CNS(C)(=O)=O)ccc1Oc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C18H21F3N2O4S/c1-23(2)12-14-10-13(11-22-28(3,24)25)4-9-17(14)26-15-5-7-16(8-6-15)27-18(19,20)21/h4-10,22H,11-12H2,1-3H3
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| InChIKey |
USDWPOAZUSPDGS-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