General Information of the Compound
Compound ID
CP0417940
Compound Name
(+/-)-N-(1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzamide
    Show/Hide
Structure
Formula
C30H26N2O2
Molecular Weight
446.55
Canonical SMILES
CC1CC(N(C(=O)c2ccccc2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
    Show/Hide
InChI
InChI=1S/C30H26N2O2/c1-22-21-28(32(25-17-9-4-10-18-25)30(34)24-15-7-3-8-16-24)26-19-11-12-20-27(26)31(22)29(33)23-13-5-2-6-14-23/h2-20,22,28H,21H2,1H3
    Show/Hide
InChIKey
CJIMPNHZPWPCSQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.5137
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
34

"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: 3753058
ChEMBL ID
CHEMBL1079844
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: PT01171, Prostaglandin D2 receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 105 nM
   TI
   LI
   LO
   TS