General Information of the Compound
Compound ID
CP0337536
Compound Name
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyrazol-1-ylpyridin-2-amine
    Show/Hide
Structure
Formula
C16H13Cl2FN4O
Molecular Weight
367.211
Canonical SMILES
CC(Oc1cc(cnc1N)-n1cccn1)c1c(Cl)ccc(F)c1Cl
    Show/Hide
InChI
InChI=1S/C16H13Cl2FN4O/c1-9(14-11(17)3-4-12(19)15(14)18)24-13-7-10(8-21-16(13)20)23-6-2-5-22-23/h2-9H,1H3,(H2,20,21)
    Show/Hide
InChIKey
MKDWOPYFYVHZCU-UHFFFAOYSA-N
Physicochemical Property
logP
4.4354
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
65.96
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 11696310
SID: 16800815
ChEMBL ID
CHEMBL1824887
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: PT01201, Hepatocyte growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 2640 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3190 nM