General Information of the Compound
Compound ID
CP0870567
Compound Name
N-(4-(aminomethyl)phenyl)-4-(dimethylamino)-2-hydroxybenzamide
    Show/Hide
Structure
Formula
C16H19N3O2
Molecular Weight
285.347
Canonical SMILES
CN(C)c1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1
    Show/Hide
InChI
InChI=1S/C16H19N3O2/c1-19(2)13-7-8-14(15(20)9-13)16(21)18-12-5-3-11(10-17)4-6-12/h3-9,20H,10,17H2,1-2H3,(H,18,21)
    Show/Hide
InChIKey
LVTVCHWERJGDGL-UHFFFAOYSA-N
Physicochemical Property
logP
2.1692
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
78.59
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 70695750
ChEMBL ID
CHEMBL2011838
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: PT02196, Plasma kallikrein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 10600 nM
   TI
   LI
   LO
   TS