General Information of the Compound
Compound ID
CP0046471
Compound Name
6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole
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Structure
Formula
C15H19FN2O
Molecular Weight
262.328
Canonical SMILES
CCCN1CCC(CC1)c1noc2cc(F)ccc12
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InChI
InChI=1S/C15H19FN2O/c1-2-7-18-8-5-11(6-9-18)15-13-4-3-12(16)10-14(13)19-17-15/h3-4,10-11H,2,5-9H2,1H3
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InChIKey
RUIFDUVNEYPMGO-UHFFFAOYSA-N
Physicochemical Property
logP
3.5563
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
29.27
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 54434812
SID: 163502410
ChEMBL ID
CHEMBL2207489
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: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 29830 nM
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