General Information of the Compound
Compound ID
CP0493747
Compound Name
N-(4-ethylphenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
    Show/Hide
Structure
Formula
C23H25N3O3
Molecular Weight
391.471
Canonical SMILES
CCc1ccc(NC(=O)Cn2nc(C)cc(Cc3ccccc3OC)c2=O)cc1
    Show/Hide
InChI
InChI=1S/C23H25N3O3/c1-4-17-9-11-20(12-10-17)24-22(27)15-26-23(28)19(13-16(2)25-26)14-18-7-5-6-8-21(18)29-3/h5-13H,4,14-15H2,1-3H3,(H,24,27)
    Show/Hide
InChIKey
SAHXQKHCYJMGLY-UHFFFAOYSA-N
Physicochemical Property
logP
3.35222
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
73.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 122487990
ChEMBL ID
CHEMBL4539397
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: PT02015, fMet-Leu-Phe receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000386 Flp-In-CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 5011.87 nM
   TI
   LI
   LO
   TS
2
EC50 > 100000 nM
   TI
   LI
   LO
   TS