General Information of the Compound
Compound ID
CP0432076
Compound Name
2-(2,6-dimethylphenyl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
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Structure
Formula
C30H32N2O
Molecular Weight
436.599
Canonical SMILES
CCN(C1CCCc2nc(cc(OC)c12)-c1c(C)cccc1C)c1cccc2ccccc12
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InChI
InChI=1S/C30H32N2O/c1-5-32(26-17-9-14-22-13-6-7-15-23(22)26)27-18-10-16-24-30(27)28(33-4)19-25(31-24)29-20(2)11-8-12-21(29)3/h6-9,11-15,17,19,27H,5,10,16,18H2,1-4H3
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InChIKey
WZHJGVYLHFQMTL-UHFFFAOYSA-N
Physicochemical Property
logP
7.43114
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
25.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
33

"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: 25191901
SID: 57300526
ChEMBL ID
CHEMBL260476
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 = 130 nM
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