General Information of the Compound
Compound ID
CP0082471
Compound Name
6-Amino-2-(3-amino-phenyl)-7-hydroxy-chromen-4-one
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Structure
Formula
C15H12N2O3
Molecular Weight
268.272
Canonical SMILES
Nc1cccc(c1)-c1cc(=O)c2cc(N)c(O)cc2o1
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InChI
InChI=1S/C15H12N2O3/c16-9-3-1-2-8(4-9)14-6-12(18)10-5-11(17)13(19)7-15(10)20-14/h1-7,19H,16-17H2
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InChIKey
PQNPYVSRVAECJJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.33
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
102.48
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
20

"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).

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PubChem ID
CID: 10265006
SID: 15269437
ChEMBL ID
CHEMBL115102
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
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