General Information of the Compound
Compound ID
CP0304037
Compound Name
Biphenyl-2-carboxylic acid (4-amino-2-methyl-quinolin-6-yl)-amide
    Show/Hide
Structure
Formula
C23H19N3O
Molecular Weight
353.425
Canonical SMILES
Cc1cc(N)c2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2n1
    Show/Hide
InChI
InChI=1S/C23H19N3O/c1-15-13-21(24)20-14-17(11-12-22(20)25-15)26-23(27)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14H,1H3,(H2,24,25)(H,26,27)
    Show/Hide
InChIKey
NJJYCHUUOLHVET-UHFFFAOYSA-N
Physicochemical Property
logP
5.04472
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
68.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 10831914
SID: 15873186
ChEMBL ID
CHEMBL139816
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 = 369.3 nM
   TI
   LI
   LO
   TS