General Information of the Compound
Compound ID
CP0492191
Compound Name
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclopropane-1-carboxamide
    Show/Hide
Structure
Formula
C19H25N3O3
Molecular Weight
343.427
Canonical SMILES
COc1ccc(cc1OC)C1(CC1)C(=O)NCCCn1cncc1C
    Show/Hide
InChI
InChI=1S/C19H25N3O3/c1-14-12-20-13-22(14)10-4-9-21-18(23)19(7-8-19)15-5-6-16(24-2)17(11-15)25-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,21,23)
    Show/Hide
InChIKey
ZUYXFJZTYPXYHE-UHFFFAOYSA-N
Physicochemical Property
logP
2.44682
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
65.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 44549630
SID: 87232584
ChEMBL ID
CHEMBL4470465
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: PT01428, Glutaminyl-peptide cyclotransferase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 24.3 nM
   TI
   LI
   LO
   TS