General Information of the Compound
Compound ID
CP0311788
Compound Name
(R)-Norfluoxetine
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Synonyms
(3r)-3-Phenyl-3-[4-(Trifluoromethyl)phenoxy]propan-1-Amine
(R)-3-(4-Trifluoromethylphenoxy)-3-phenylpropylamine
(R)-3-Phenyl-3-(4-trifluoromethyl-phenoxy)-propylamine
(R)-Norfluoxetine
05UQ1299DN
130194-43-3
9049AH
AJ-28674
AKOS027384575
BDBM50254791
Benzenepropanamine, gamma-(4-(trifluoromethyl)phenoxy)-, (gammaR)-
CHEMBL446084
CTK8E9557
FT-0673087
J-005760
MolPort-028-616-048
NE64378
Norfluoxetine, (R)-
R-Norfluoxetine
RT-014016
SCHEMBL3750512
UNII-05UQ1299DN
ZINC1645453
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Structure
Formula
C16H16F3NO
Molecular Weight
295.304
Canonical SMILES
NCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
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InChI
InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1
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InChIKey
WIQRCHMSJFFONW-OAHLLOKOSA-N
Physicochemical Property
logP
4.1743
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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).

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PubChem ID
CID: 9797657
SID: 14898154
ChEMBL ID
CHEMBL446084
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 7133 nM
   TI
   LI
   LO
   TS
2
Ki = 3661 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 1995 nM
   TI
   LI
   LO
   TS
2
Ki = 7490 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 13 nM
   TI
   LI
   LO
   TS
2
Ki = 26 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (R)-Norfluoxetine )
Drug Name (R)-Norfluoxetine
Target(s)
Dopamine transporter (DAT)
Inhibitor
Serotonin transporter (SERT)
Inhibitor
Norepinephrine transporter (NET)
Inhibitor