General Information of the Compound
Compound ID
CP0438943
Compound Name
2-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N,N,3,8-tetramethylquinolin-5-amine
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Structure
Formula
C23H28N2O3
Molecular Weight
380.488
Canonical SMILES
COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(C)C)c2cc1C
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InChI
InChI=1S/C23H28N2O3/c1-14-8-9-18(25(3)4)17-10-15(2)23(24-22(14)17)21-19(27-6)11-16(13-26-5)12-20(21)28-7/h8-12H,13H2,1-7H3
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InChIKey
LGWQIPUHAOTKDG-UHFFFAOYSA-N
Physicochemical Property
logP
4.74824
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
43.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 70690703
SID: 163453412
ChEMBL ID
CHEMBL2063371
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 212 nM
   TI
   LI
   LO
   TS
2
IC50 > 1000 nM
   TI
   LI
   LO
   TS