General Information of the Compound
Compound ID
CP0447147
Compound Name
6,8-dibromo-3-(2H-tetrazol-5-yl)chromen-2-one
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Structure
Formula
C10H4Br2N4O2
Molecular Weight
371.976
Canonical SMILES
Brc1cc(Br)c2oc(=O)c(cc2c1)-c1nnn[nH]1
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InChI
InChI=1S/C10H4Br2N4O2/c11-5-1-4-2-6(9-13-15-16-14-9)10(17)18-8(4)7(12)3-5/h1-3H,(H,13,14,15,16)
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InChIKey
SRNISOHSCKAFOT-UHFFFAOYSA-N
Physicochemical Property
logP
2.4981
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
84.67
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 137632781
ChEMBL ID
CHEMBL4065291
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
CL000007 HT-29 Homo sapiens (Human)  1
1
IC50 = 380 nM
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