General Information of the Compound
Compound ID
CP0374157
Compound Name
(R)-3-((6-fluoronaphthalen-2-yl)methoxy)pyrrolidine
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Structure
Formula
C15H16FNO
Molecular Weight
245.297
Canonical SMILES
Fc1ccc2cc(CO[C@@H]3CCNC3)ccc2c1
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InChI
InChI=1S/C15H16FNO/c16-14-4-3-12-7-11(1-2-13(12)8-14)10-18-15-5-6-17-9-15/h1-4,7-8,15,17H,5-6,9-10H2/t15-/m1/s1
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InChIKey
LMGLVWVNPWWAAK-OAHLLOKOSA-N
Physicochemical Property
logP
2.8574
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 44592121
ChEMBL ID
CHEMBL469811
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 10300 nM
   TI
   LI
   LO
   TS
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2100 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)  1
1
IC50 = 10600 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)  1
1
IC50 = 4 nM
   TI
   LI
   LO
   TS