General Information of the Compound
Compound ID
CP0170139
Compound Name
5,7-Diamino-2-(3-amino-phenyl)-6-hydroxy-chromen-4-one
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Structure
Formula
C15H13N3O3
Molecular Weight
283.287
Canonical SMILES
Nc1cccc(c1)-c1cc(=O)c2c(N)c(O)c(N)cc2o1
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InChI
InChI=1S/C15H13N3O3/c16-8-3-1-2-7(4-8)11-6-10(19)13-12(21-11)5-9(17)15(20)14(13)18/h1-6,20H,16-18H2
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InChIKey
HEQIBPLIDSTDLX-UHFFFAOYSA-N
Physicochemical Property
logP
1.9122
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
128.5
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
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: 10356451
SID: 15369136
ChEMBL ID
CHEMBL325949
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 = 7800 nM
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