General Information of the Compound
Compound ID
CP0393009
Compound Name
4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
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Structure
Formula
C15H13N5O2
Molecular Weight
295.302
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnn[nH]1
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InChI
InChI=1S/C15H13N5O2/c1-22-13-8-4-11(5-9-13)15(21)16-12-6-2-10(3-7-12)14-17-19-20-18-14/h2-9H,1H3,(H,16,21)(H,17,18,19,20)
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InChIKey
VOZGIZPDTNMMPY-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).

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PubChem ID
CID: 110720191
ChEMBL ID
CHEMBL4166802
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)  2
1
EC50 = 17580 nM
   TI
   LI
   LO
   TS
2
IC50 = 8360 nM
   TI
   LI
   LO
   TS