General Information of the Compound
Compound ID
CP0436427
Compound Name
2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
    Show/Hide
Structure
Formula
C32H36N2O2
Molecular Weight
480.652
Canonical SMILES
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cccc2c(OC)cccc12
    Show/Hide
InChI
InChI=1S/C32H36N2O2/c1-6-21-12-8-13-22(7-2)31(21)26-20-30(36-5)32-25(33-26)16-11-18-28(32)34(3)27-17-9-15-24-23(27)14-10-19-29(24)35-4/h8-10,12-15,17,19-20,28H,6-7,11,16,18H2,1-5H3
    Show/Hide
InChIKey
NACXQSITAPZCKT-UHFFFAOYSA-N
Physicochemical Property
logP
7.5576
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
34.59
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
36

"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: 44450396
ChEMBL ID
CHEMBL261499
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: PT02772, C5a anaphylatoxin chemotactic receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS