General Information of the Compound
Compound ID
CP0387566
Compound Name
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylimidazo[1,2-a]quinoline-4-carboxamide
    Show/Hide
Structure
Formula
C28H19F6N3O
Molecular Weight
527.468
Canonical SMILES
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2)c2ccccc2n2ccnc12
    Show/Hide
InChI
InChI=1S/C28H19F6N3O/c1-36(16-17-13-19(27(29,30)31)15-20(14-17)28(32,33)34)26(38)24-23(18-7-3-2-4-8-18)21-9-5-6-10-22(21)37-12-11-35-25(24)37/h2-15H,16H2,1H3
    Show/Hide
InChIKey
PHJAHENRIQLDKM-UHFFFAOYSA-N
Physicochemical Property
logP
7.4643
Rotatable Bonds
4
Heavy Atom Count
38
Polar Areas
37.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
38

"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: 16755230
SID: 26743487
ChEMBL ID
CHEMBL451773
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: PT01410, Substance-P receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 38 nM
   TI
   LI
   LO
   TS