General Information of the Compound
Compound ID
CP0198384
Compound Name
6-chloro-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-nitropyridin-2-amine
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Structure
Formula
C11H5Cl2F3N4O2
Molecular Weight
353.087
Canonical SMILES
[O-][N+](=O)c1ccc(Cl)nc1Nc1ncc(cc1Cl)C(F)(F)F
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InChI
InChI=1S/C11H5Cl2F3N4O2/c12-6-3-5(11(14,15)16)4-17-9(6)19-10-7(20(21)22)1-2-8(13)18-10/h1-4H,(H,17,18,19)
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InChIKey
WDFYMZRGTWFEER-UHFFFAOYSA-N
Physicochemical Property
logP
4.454
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
80.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 145993995
ChEMBL ID
CHEMBL4294665
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: PT01343, Fibroblast growth factor receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  4
1
IC50 = 21 nM
   TI
   LI
   LO
   TS
2
IC50 = 32 nM
   TI
   LI
   LO
   TS
3
IC50 = 53 nM
   TI
   LI
   LO
   TS
4
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 53 nM
Protein ID: PT07029, Fibroblast growth factor receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 139 nM
   TI
   LI
   LO
   TS
2
IC50 = 482 nM
   TI
   LI
   LO
   TS