General Information of the Compound
Compound ID
CP0389865
Compound Name
N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
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Structure
Formula
C15H9BrF3N5O
Molecular Weight
412.169
Canonical SMILES
FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
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InChI
InChI=1S/C15H9BrF3N5O/c16-10-5-6-11(13-21-23-24-22-13)12(7-10)20-14(25)8-1-3-9(4-2-8)15(17,18)19/h1-7H,(H,20,25)(H,21,22,23,24)
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InChIKey
GXVBWQSVRLVEOE-UHFFFAOYSA-N
Physicochemical Property
logP
3.9003
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
83.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 145953959
ChEMBL ID
CHEMBL4170205
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 = 3650 nM
   TI
   LI
   LO
   TS
2
IC50 = 1360 nM
   TI
   LI
   LO
   TS