General Information of the Compound
Compound ID
CP0296927
Compound Name
N-(4-amino-2-methylquinolin-6-yl)-2-(2-phenylethyl)benzamide
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Structure
Formula
C25H23N3O
Molecular Weight
381.479
Canonical SMILES
Cc1cc(N)c2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc2n1
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InChI
InChI=1S/C25H23N3O/c1-17-15-23(26)22-16-20(13-14-24(22)27-17)28-25(29)21-10-6-5-9-19(21)12-11-18-7-3-2-4-8-18/h2-10,13-16H,11-12H2,1H3,(H2,26,27)(H,28,29)
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InChIKey
PEIHTOMPHVPEIY-UHFFFAOYSA-N
Physicochemical Property
logP
5.16292
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
68.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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).

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PubChem ID
CID: 10596013
SID: 15625250
ChEMBL ID
CHEMBL358306
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 = 79.9 nM
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