General Information of the Compound
Compound ID
CP0930546
Compound Name
4-amino-N-(4-(aminomethyl)phenyl)-2-hydroxybenzamide
    Show/Hide
Structure
Formula
C14H15N3O2
Molecular Weight
257.293
Canonical SMILES
NCc1ccc(NC(=O)c2ccc(N)cc2O)cc1
    Show/Hide
InChI
InChI=1S/C14H15N3O2/c15-8-9-1-4-11(5-2-9)17-14(19)12-6-3-10(16)7-13(12)18/h1-7,18H,8,15-16H2,(H,17,19)
    Show/Hide
InChIKey
IHIDUPQTYLGLJR-UHFFFAOYSA-N
Physicochemical Property
logP
1.6854
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
101.37
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 70683146
ChEMBL ID
CHEMBL2011839
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 = 3800 nM
   TI
   LI
   LO
   TS