General Information of the Compound
Compound ID
CP0286125
Compound Name
8-Amino-2-(3-amino-phenyl)-6-methoxy-chromen-4-one
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Structure
Formula
C16H14N2O3
Molecular Weight
282.299
Canonical SMILES
COc1cc(N)c2oc(cc(=O)c2c1)-c1cccc(N)c1
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InChI
InChI=1S/C16H14N2O3/c1-20-11-6-12-14(19)8-15(21-16(12)13(18)7-11)9-3-2-4-10(17)5-9/h2-8H,17-18H2,1H3
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InChIKey
GIVJZBUZAPENGW-UHFFFAOYSA-N
Physicochemical Property
logP
2.633
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
91.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 10333957
SID: 15344590
ChEMBL ID
CHEMBL114550
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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   LI
   LO
   TS