General Information of the Compound
Compound ID
CP0435913
Compound Name
(4R)-2-undecylthiazolidine-4-carboxylic acid
    Show/Hide
Structure
Formula
C15H29NO2S
Molecular Weight
287.469
Canonical SMILES
CCCCCCCCCCCC1N[C@@H](CS1)C(O)=O
    Show/Hide
InChI
InChI=1S/C15H29NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-16-13(12-19-14)15(17)18/h13-14,16H,2-12H2,1H3,(H,17,18)/t13-,14?/m0/s1
    Show/Hide
InChIKey
FNBSOIBCKUUVJJ-LSLKUGRBSA-N
Physicochemical Property
logP
4.023
Rotatable Bonds
11
Heavy Atom Count
19
Polar Areas
49.33
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2727678
SID: 47208539
ChEMBL ID
CHEMBL222029
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: PT01838, Sphingosine 1-phosphate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 11600 nM
   TI
   LI
   LO
   TS