General Information of the Compound
Compound ID
CP0507918
Compound Name
N-ethyl-4-methoxy-2-(2-methylphenyl)-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
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Structure
Formula
C29H30N2O
Molecular Weight
422.572
Canonical SMILES
CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1C)c1cccc2ccccc12
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InChI
InChI=1S/C29H30N2O/c1-4-31(26-17-9-13-21-12-6-8-15-23(21)26)27-18-10-16-24-29(27)28(32-3)19-25(30-24)22-14-7-5-11-20(22)2/h5-9,11-15,17,19,27H,4,10,16,18H2,1-3H3
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InChIKey
JFOVPHALQDHNQN-UHFFFAOYSA-N
Physicochemical Property
logP
7.12272
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
25.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
32

"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: 25192338
SID: 57301003
ChEMBL ID
CHEMBL408460
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 = 350 nM
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