General Information of the Compound
Compound ID
CP0389802
Compound Name
4-methoxy-N-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzamide
    Show/Hide
Structure
Formula
C15H13N5O2
Molecular Weight
295.302
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn[nH]1
    Show/Hide
InChI
InChI=1S/C15H13N5O2/c1-22-11-8-6-10(7-9-11)15(21)16-13-5-3-2-4-12(13)14-17-19-20-18-14/h2-9H,1H3,(H,16,21)(H,17,18,19,20)
    Show/Hide
InChIKey
FZRYOABWZQVUIW-UHFFFAOYSA-N
Physicochemical Property
logP
2.1276
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
92.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 45489602
ChEMBL ID
CHEMBL1704189
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 = 280 nM
   TI
   LI
   LO
   TS