General Information of the Compound
Compound ID
CP0373118
Compound Name
2-(2,6-diethylphenyl)-N-ethyl-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
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Structure
Formula
C22H30N2O
Molecular Weight
338.495
Canonical SMILES
CCNC1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC
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InChI
InChI=1S/C22H30N2O/c1-5-15-10-8-11-16(6-2)21(15)19-14-20(25-4)22-17(23-7-3)12-9-13-18(22)24-19/h8,10-11,14,17,23H,5-7,9,12-13H2,1-4H3
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InChIKey
LOGDISOWGIAGFG-UHFFFAOYSA-N
Physicochemical Property
logP
4.8689
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
34.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 44450406
ChEMBL ID
CHEMBL259341
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
   TI
   LI
   LO
   TS