General Information of the Compound
Compound ID
CP0481897
Compound Name
N-[5-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-methoxybenzamide
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Structure
Formula
C15H12FN5O2
Molecular Weight
313.292
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1cc(F)ccc1-c1nnn[nH]1
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InChI
InChI=1S/C15H12FN5O2/c1-23-11-5-2-9(3-6-11)15(22)17-13-8-10(16)4-7-12(13)14-18-20-21-19-14/h2-8H,1H3,(H,17,22)(H,18,19,20,21)
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InChIKey
ZVXQRPZYMMVKOA-UHFFFAOYSA-N
Physicochemical Property
logP
2.2667
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
92.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 145949189
ChEMBL ID
CHEMBL4171326
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 = 82 nM
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