General Information of the Compound
Compound ID
CP0470515
Compound Name
N-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)pentanamide
    Show/Hide
Structure
Formula
C23H22FN5O
Molecular Weight
403.461
Canonical SMILES
CCCCC(=O)N(Cc1ccc2ccccc2c1)c1cc(ccc1F)-c1nnn[nH]1
    Show/Hide
InChI
InChI=1S/C23H22FN5O/c1-2-3-8-22(30)29(15-16-9-10-17-6-4-5-7-18(17)13-16)21-14-19(11-12-20(21)24)23-25-27-28-26-23/h4-7,9-14H,2-3,8,15H2,1H3,(H,25,26,27,28)
    Show/Hide
InChIKey
OVYUTGPAGJXDNA-UHFFFAOYSA-N
Physicochemical Property
logP
4.8824
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
74.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 49872390
SID: 104547319
ChEMBL ID
CHEMBL2036035
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: PT01171, Prostaglandin D2 receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 18 nM
   TI
   LI
   LO
   TS