General Information of the Compound
Compound ID
CP0324121
Compound Name
6-Amino-2-(3-amino-phenyl)-chromen-4-one
    Show/Hide
Structure
Formula
C15H12N2O2
Molecular Weight
252.273
Canonical SMILES
Nc1cccc(c1)-c1cc(=O)c2cc(N)ccc2o1
    Show/Hide
InChI
InChI=1S/C15H12N2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,16-17H2
    Show/Hide
InChIKey
JHCRMYACOBDZEC-UHFFFAOYSA-N
Physicochemical Property
logP
2.6244
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
82.25
Hydrogen Bond Donor Count
2
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: 10264201
SID: 15268500
ChEMBL ID
CHEMBL115103
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 > 100000 nM
   TI
   LI
   LO
   TS