General Information of the Compound
Compound ID
CP0543042
Compound Name
4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide
    Show/Hide
Structure
Formula
C24H23N5O
Molecular Weight
397.482
Canonical SMILES
NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1ccccc1
    Show/Hide
InChI
InChI=1S/C24H23N5O/c25-24(26)20-12-11-19(13-22(20)30-16-17-7-3-1-4-8-17)27-15-23-28-14-21(29-23)18-9-5-2-6-10-18/h1-14,27H,15-16H2,(H3,25,26)(H,28,29)
    Show/Hide
InChIKey
VCVHKYALGNGEGS-UHFFFAOYSA-N
Physicochemical Property
logP
4.55187
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
99.81
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 155547612
ChEMBL ID
CHEMBL4535831
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: PT01859, Kallikrein-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 25118.86 nM
   TI
   LI
   LO
   TS