General Information of the Compound
Compound ID
CP0395597
Compound Name
8-amino-6-bromo-4-oxochromene-2-carboxylic acid
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Structure
Formula
C10H6BrNO4
Molecular Weight
284.065
Canonical SMILES
Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
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InChI
InChI=1S/C10H6BrNO4/c11-4-1-5-7(13)3-8(10(14)15)16-9(5)6(12)2-4/h1-3H,12H2,(H,14,15)
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InChIKey
PPHWKKSLFLMNJG-UHFFFAOYSA-N
Physicochemical Property
logP
1.8359
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
93.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 71734939
ChEMBL ID
CHEMBL2392144
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 12600 nM
   TI
   LI
   LO
   TS
2
Ki = 3010 nM
   TI
   LI
   LO
   TS