General Information of the Compound
Compound ID
CP0245291
Compound Name
6-(1-methylpyrazol-4-yl)-3-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-2-carboxamide
    Show/Hide
Structure
Formula
C24H24F3N5O4
Molecular Weight
503.481
Canonical SMILES
Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O
    Show/Hide
InChI
InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)19-6-7-20(22(30-19)23(28)34)35-17-8-10-32(11-9-17)21(33)12-15-2-4-18(5-3-15)36-24(25,26)27/h2-7,13-14,17H,8-12H2,1H3,(H2,28,34)
    Show/Hide
InChIKey
PFBAATFKRNWAOG-UHFFFAOYSA-N
Physicochemical Property
logP
3.0921
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
112.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
36

"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: 145964002
ChEMBL ID
CHEMBL4208510
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: PT01390, BDNF/NT-3 growth factors receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 6.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
Protein ID: PT00936, NT-3 growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 8.4 nM
   TI
   LI
   LO
   TS