General Information of the Compound
Compound ID
CP0437305
Compound Name
4-[(3-Bromophenyl)amino]-1,2,3-benzotriazine
    Show/Hide
Structure
Formula
C13H9BrN4
Molecular Weight
301.147
Canonical SMILES
Brc1cccc(Nc2nnnc3ccccc23)c1
    Show/Hide
InChI
InChI=1S/C13H9BrN4/c14-9-4-3-5-10(8-9)15-13-11-6-1-2-7-12(11)16-18-17-13/h1-8H,(H,15,16,17)
    Show/Hide
InChIKey
JHEUTLNGYTXKOM-UHFFFAOYSA-N
Physicochemical Property
logP
3.5309
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 5328023
SID: 16889541
ChEMBL ID
CHEMBL119758
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS