General Information of the Compound
Compound ID
CP0535811
Compound Name
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-hydroxyphenoxy)methyl]benzamide
    Show/Hide
Structure
Formula
C24H21N3O3
Molecular Weight
399.45
Canonical SMILES
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(O)cc3)ccc2n1
    Show/Hide
InChI
InChI=1S/C24H21N3O3/c1-15-12-22(25)21-13-17(6-11-23(21)26-15)27-24(29)20-5-3-2-4-16(20)14-30-19-9-7-18(28)8-10-19/h2-13,28H,14H2,1H3,(H2,25,26)(H,27,29)
    Show/Hide
InChIKey
UPJOJZCQJRNBTC-UHFFFAOYSA-N
Physicochemical Property
logP
4.66232
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
97.47
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 9824313
SID: 15775990
ChEMBL ID
CHEMBL139566
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: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 46.7 nM
   TI
   LI
   LO
   TS