General Information of the Compound
Compound ID
CP0409565
Compound Name
3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine
    Show/Hide
Structure
Formula
C18H29N
Molecular Weight
259.437
Canonical SMILES
CCCCCCCC\C=C/c1c(C)cc(C)nc1C
    Show/Hide
InChI
InChI=1S/C18H29N/c1-5-6-7-8-9-10-11-12-13-18-15(2)14-16(3)19-17(18)4/h12-14H,5-11H2,1-4H3/b13-12-
    Show/Hide
InChIKey
BQXJCXDOLDLMQE-SEYXRHQNSA-N
Physicochemical Property
logP
5.77066
Rotatable Bonds
8
Heavy Atom Count
19
Polar Areas
12.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
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: 70694935
SID: 163459891
ChEMBL ID
CHEMBL2064164
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: PT00903, C-C chemokine receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000116 MOLT-4 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000119 DU145 Homo sapiens (Human)  1
1
ED50 > 30000 nM
   TI
   LI
   LO
   TS