General Information of the Compound
Compound ID
CP0407949
Compound Name
2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-5-amine
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Structure
Formula
C32H36N2O
Molecular Weight
464.653
Canonical SMILES
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1c(C)ccc2ccccc12
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InChI
InChI=1S/C32H36N2O/c1-6-22-13-10-14-23(7-2)30(22)27-20-29(35-5)31-26(33-27)16-11-17-28(31)34(4)32-21(3)18-19-24-12-8-9-15-25(24)32/h8-10,12-15,18-20,28H,6-7,11,16-17H2,1-5H3
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InChIKey
CTFCGPRALFQSJL-UHFFFAOYSA-N
Physicochemical Property
logP
7.85742
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
25.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
35

"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: 25192897
SID: 57301585
ChEMBL ID
CHEMBL259971
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 = 1500 nM
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