General Information of the Compound
Compound ID
CP0440201
Compound Name
N-(4-amino-2-methylquinolin-6-yl)-2-(3-phenylpropyl)benzamide
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Structure
Formula
C26H25N3O
Molecular Weight
395.506
Canonical SMILES
Cc1cc(N)c2cc(NC(=O)c3ccccc3CCCc3ccccc3)ccc2n1
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InChI
InChI=1S/C26H25N3O/c1-18-16-24(27)23-17-21(14-15-25(23)28-18)29-26(30)22-13-6-5-11-20(22)12-7-10-19-8-3-2-4-9-19/h2-6,8-9,11,13-17H,7,10,12H2,1H3,(H2,27,28)(H,29,30)
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InChIKey
GDSFRBOVQXWMPR-UHFFFAOYSA-N
Physicochemical Property
logP
5.55302
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
68.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 10715726
SID: 15750884
ChEMBL ID
CHEMBL141078
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 = 121.2 nM
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