General Information of the Compound
Compound ID
CP0432074
Compound Name
N-ethyl-4-methoxy-N-naphthalen-1-yl-2-(2-phenylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine
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Structure
Formula
C34H32N2O
Molecular Weight
484.643
Canonical SMILES
CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1-c1ccccc1)c1cccc2ccccc12
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InChI
InChI=1S/C34H32N2O/c1-3-36(31-21-11-16-25-15-7-8-18-27(25)31)32-22-12-20-29-34(32)33(37-2)23-30(35-29)28-19-10-9-17-26(28)24-13-5-4-6-14-24/h4-11,13-19,21,23,32H,3,12,20,22H2,1-2H3
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InChIKey
NEAGSUMDXYRQCY-UHFFFAOYSA-N
Physicochemical Property
logP
8.4813
Rotatable Bonds
6
Heavy Atom Count
37
Polar Areas
25.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
37

"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: 44450426
ChEMBL ID
CHEMBL260177
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: PT02772, C5a anaphylatoxin chemotactic receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 > 10000 nM
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   LI
   LO
   TS